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HCID 17521作成日：2026年10月30日

メルカプトジメツルスルホキシド標準品

メルカプトジメツルスルホキシド標準品 · メチオカルブスルホキシド標準品 · メルカプトジメツルスルホキシドメチオカルブスルホキシド · メチオカルブスルホキシド · メチルカルバミド酸4-(メチルスルフィニル)-3,5-ジメチルフェニル · メスロールスルホキシド · 4-メタンスルフィニル-3,5-ジメチルフェニル N-メチルカルバマート · メチルカルバミド酸3,5-ジメチル-4-(メチルスルフィニル)フェニル

https://huagongshe.com/ja/chemical/17521

識別子と物理属性

CAS No.	2635-10-1
分子式	C11H15NO3S
平均分子量	241.31 g/mol
単同位体質量	241.07726451 g/mol
SMILES	CNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1
InChIKey	FNCMBMZOZQAWJA-UHFFFAOYSA-N
PubChem CID	17521
ChEBI	CHEBI:83542
EC No.	624-354-6
DTXSID	DTXSID8042139
現地名	メルカプトジメツルスルホキシド標準品

化学・物理的性質

XLogP	1.5
極性表面積	74.6
水素結合供与体数	1
水素結合受容体数	4
回転可能結合数	3
重原子数	16
形式電荷	0
複雑度	270
農薬	Pesticides -> Transformation productsEnvironmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide (Methiocarb sulfoxide) -> USDA PDB
Ionization Efficiency	Positive2.482.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Collision Cross Section	154.16 Å² [M+Na]+
沸点	399.0±42.0 °C(Predicted)
密度	1.25±0.1 g/cm3(Predicted)
貯蔵条件	0-6°C
溶解度	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pKa（酸解離定数）	12.03±0.46(Predicted)
安定性	Hygroscopic
主な用途	農業環境
InChI	1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKey	FNCMBMZOZQAWJA-UHFFFAOYSA-N
SMILES	CNC(=O)Oc1cc(C)c(c(C)c1)S(C)=O
EPAの化学物質情報	Methiocarb sulfoxide (2635-10-1)

安全性と法規制

GHS 分類	This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.DangerH300 (92.9%): Fatal if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 2 (92.9%)
Treatment	If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.
健康影響	Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing (A15321).

メルカプトジメツルスルホキシド標準品

CAS No.

2635-10-1

分子式

C11H15NO3S

平均分子量

241.31 g/mol

単同位体質量

241.07726451 g/mol

SMILES

CNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1

InChIKey

FNCMBMZOZQAWJA-UHFFFAOYSA-N

PubChem CID

17521

ChEBI

CHEBI:83542

EC No.

624-354-6

DTXSID

DTXSID8042139

現地名

メルカプトジメツルスルホキシド標準品

化学・物理的性質

XLogP

1.5

極性表面積

74.6

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

270

農薬

Pesticides -> Transformation productsEnvironmental transformation -> Pesticide transformation products (metabolite, successor)Pesticide (Methiocarb sulfoxide) -> USDA PDB

Ionization Efficiency

Positive2.482.7Agilent XCTElectrospray ionizationformic acid (5.3nM)

Collision Cross Section

154.16 Å² [M+Na]+

沸点

399.0±42.0 °C(Predicted)

密度

1.25±0.1 g/cm3(Predicted)

貯蔵条件

0-6°C

溶解度

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

pKa（酸解離定数）

12.03±0.46(Predicted)

安定性

Hygroscopic

主な用途

農業環境

InChI

1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)

InChIKey

FNCMBMZOZQAWJA-UHFFFAOYSA-N

SMILES

CNC(=O)Oc1cc(C)c(c(C)c1)S(C)=O

EPAの化学物質情報

Methiocarb sulfoxide (2635-10-1)

安全性と法規制

GHS 分類

This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.DangerH300 (92.9%): Fatal if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 2 (92.9%)

Treatment

If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.

健康影響

Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing (A15321).