N-メチルチオカルバミド酸S-[4-(メチルスルホニルオキシ)フェニル]

Methasulfocarb

HCID 93362

基本情報

CAS: 66952-49-6
標準SMILES: CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1
InChIKey: IXJOSTZEBSTPAG-UHFFFAOYSA-N
分子式: C9H11NO4S2
平均分子量: 261.3 g/mol
単同位体質量: 261.01294983

概要

Methasulfocarb is a monothiocarbamic ester that is phenyl methanesulfonate in which the hydrogen at position 4 is replaced by a (methylcarbamoyl)sulfanediyl group. It is a fungicide used for the treatment of a range of fungal diseases in rice. It is a methanesulfonate ester and a monothiocarbamic ester.

名称と識別子

優先名称: Methasulfocarb
IUPAC: [4-(methylcarbamoylsulfanyl)phenyl] methanesulfonate
現地名: N-メチルチオカルバミド酸S-[4-(メチルスルホニルオキシ)フェニル]
英語名: Methasulfocarb
分子式: C9H11NO4S2
分子量: 261.32

名称と別名

Methasulfocarb66952-49-6KayabestMethasulfocarb [ISO]BRN 2219123NK-191UNII-KWW71T2ANCKWW71T2ANCCarbamothioic acid, methyl-, S-(4-((methylsulfonyl)oxy)phenyl) esterS-4-(mesyloxy)phenyl methyl(thiocarbamate)4-[(methylcarbamoyl)sulfanyl]phenyl methanesulfonateS-(4-Methylsulfonyloxyphenyl)-N-methylthiocarbamate

名称をさらに表示

メタスルホカルブカヤベストN-メチルチオカルバミド酸S-[4-(メチルスルホニルオキシ)フェニル]メチルチオカルバミド酸S-[4-(メチルスルホニルオキシ)フェニル]S-(4-メチルスルホニルオキシフェニル)-N-メチルチオカルバマートS-(4-メチルスルホニルオキシフェニル)-N-メチルチオカルバメートCS_N-13283-25MG_メタスルホカルブ4-[(メチルカルバモイル)スルファニル]フェニルメタンスルホナートS-(4-ﾒﾁﾙｽﾙﾎﾆﾙｵｷｼﾌｪﾆﾙ)-N-ﾒﾁﾙﾁｵｶﾙﾊﾞﾒｰﾄMETHANSULFOCARBMethasulfocarb SolutionMethasulfocarb, 10 mM in DMSOFungal,Methasulfocarb,Inhibitor,inhibitMethasulfocarb Solution in Acetonitrile4-((MethylcarbaMoyl)thio)phenyl Methanesulfonate

DTXSID9058155CHEBI:81933Methylcarbamothioic acid S-(4-((methylsulfonyl)oxy)phenyl) esterS-[4-[(methylsulfonyl)oxy]phenyl] N-methylcarbamothioateS-[4-(methanesulfonyloxy)phenyl] methylcarbamothioateS-(4-((METHYLSULFONYL)OXY)PHENYL) N-METHYLCARBAMOTHIOATE4-((methylcarbamoyl)sulfanyl)phenyl methanesulfonateS-(4-(methanesulfonyloxy)phenyl) methylcarbamothioate

データベース識別子

CAS: 66952-49-6
PubChem CID: 93362
DTXSID: DTXSID9058155
ChEBI: CHEBI:81933
UNII: KWW71T2ANC
EC Number: 614-003-5
Nikkaji: J1.135E

物性

構造計算による物性

XLogP: 1.6
極性表面積: 106 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 4
重原子数: 16
形式電荷: 0
複雑度: 328

物理化学的性質

融点: 137 °C · 137 °C
比重(密度): 1.42 · 1.42±0.1 g/cm3(Predicted)
貯蔵温度: -20 °C · Store at -20°C
溶解性: Soluble in DMSO
酸解離定数(Pka): 12.44 · 12.44±0.46(Predicted)
BRN: 2219123 · 2219123
主な用途: 農業環境
InChI: 1S/C9H11NO4S2/c1-10-9(11)15-8-5-3-7(4-6-8)14-16(2,12)13/h3-6H,1-2H3,(H,10,11)
InChIKey: IXJOSTZEBSTPAG-UHFFFAOYSA-N
SMILES: CNC(=O)Sc1ccc(OS(C)(=O)=O)cc1

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H301 (100%): Toxic 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 3 (100%)

Acute toxicity (Oral) - Category 3

安全データ

wgk: 2
ridadr: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
risk_code: 25-51/53
hazard_code: T,N
safety_code: 45-61
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2
ストレージクラス: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

化学と産業

応用分野

使用Methasulfocarb is a fungicide used in the treatment of bacterial seedling rot of rice.

サプライヤー26 社

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

MedChemexpress LLC021-58955995 · [email protected]

BOC Sciences1-631-485-4226; 16314854226 · [email protected]

補足説明

定義ChEBI: A monothiocarbamic ester that is phenyl methanesulfonate in which the hydrogen at position 4 is replaced by a (methylcarbamoyl)sulfanediyl group. It is a fungicide used for the treatment of a range of fungal diseases in rice.

化合物ノート

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