3-メルカプト-N-メチルプロパンアミド

3-Mercapto-N-methylpropanamide

HCID 642906CAS 52334-99-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CNC(=O)CCS
InChIKey: VYQTZFNKSHBQKY-UHFFFAOYSA-N
分子式: C4H9NOS
平均分子量: 119.19 g/mol
単同位体質量: 119.04048508

名称と識別子

優先名称: 3-Mercapto-N-methylpropanamide
IUPAC: N-methyl-3-sulfanylpropanamide
現地名: 3-メルカプト-N-メチルプロパンアミド
英語名: Propanamide, 3-mercapto-N-methyl-
分子式: C4H9NOS
分子量: 119.19

名称と別名

3-Mercapto-N-methylpropanamide52334-99-3Propanamide, 3-mercapto-N-methyl-N-Methyl 3-mercaptopropionamideDTXSID20886000RefChem:94543methyl-3-mercaptopropionamideDTXCID901025351610-826-9InChI=1/C4H9NOS/c1-5-4(6)2-3-7/h7H,2-3H2,1H3,(H,5,6N-methyl-3-sulfanylpropanamide3-mercapto-N-methyl propanamide

名称をさらに表示

3-メルカプト-N-メチルプロパンアミドN-メチル-3-スルファニルプロパンアミドthiol-3 N-methylpropanamide

MFCD01756800SCHEMBL1146799SCHEMBL3896924SCHEMBL5501209N-methyl-3-sulfanyl-propanamideN-methyl-(3-mercapto)propionamiden-methyl-(3-mercapto)-propionamideAKOS006279331

データベース識別子

CAS: 52334-99-3
PubChem CID: 642906
DTXSID: DTXSID20886000
EC Number: 610-826-9
Nikkaji: J422.600C

物性

構造計算による物性

XLogP: -0.2
極性表面積: 30.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 7
形式電荷: 0
複雑度: 64

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature
EPAの化学物質情報: 3 · Propanamide, 3-mercapto-N-methyl- (52334-99-3)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H312+H332 (39.4%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]；H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 16-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26584

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)；Acute Tox. 4 (97.9%)；Acute Tox. 4 (97.9%)

法規制情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 16-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26584

安全データ

tsca: TSCA listed

化学と産業

用途と製造

General Manufacturing InformationPropanamide, 3-mercapto-N-methyl-: INACTIVE

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