HCID15586167

Methyl carbamothioylformate

methyl 2-amino-2-sulfanylideneacetate

C3H5NO2S119.14 g/molCAS 86563-22-6

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IDENTITY

结构与身份

标准SMILES: COC(=O)C(N)=S
InChIKey: BOOOPNVCLWZMAH-UHFFFAOYSA-N
分子式: C3H5NO2S
平均分子量: 119.14 g/mol
单同位素质量: 119.00409958

COMPUTED

结构计算性质

已同步

XLogP: 0
极性表面积: 84.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 7
形式电荷: 0
复杂度: 101

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 16 条

methyl carbamothioylformateRefChem:817667865-607-286563-22-6methyl 2-amino-2-sulfanylideneacetateAcetic acid, aminothioxo-, methyl estermethyl 2-amino-2-thioxoacetatemethylcarbamothioylformateSCHEMBL2592313SCHEMBL25098484DTXSID60575128BOOOPNVCLWZMAH-UHFFFAOYSA-NMethyl amino(sulfanylidene)acetateAKOS006309586DA-41073EN300-81712

REACTIONS

参与反应

1 条

uspto-grants-2014_12 · 10.6084/m9.figshare.5104873.v1 · US08916593B2

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