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Aceticacid,aminothioxo-,methylester(9CI)

Aceticacid,aminothioxo-,methylester(9CI) structure

CAS No:
86563-22-6
Formula:
C3H5NO2S
Chemical Name:
Aceticacid,aminothioxo-,methylester(9CI)
Synonyms:
Acetic acid,aminothioxo-,methyl ester (9CI);methyl 2-amino-2-thioxoacetate;methyl thiocarbamoylformate;Acetic acid, 2-amino-2-thioxo-, methyl ester;methyl carbamothioylformate

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Aceticacid,aminothioxo-,methylester(9CI) Basic Attributes

Molecular Weight：

119.14

Exact Mass：

119.00409958

DSSTox ID：

DTXSID60575128

Characteristics

Density：

1.320±0.06 g/cm3

Melting Point：

83-85 °C

Boiling Point：

181.3±23.0 °C(Predicted)

PKA：

11.25±0.29

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:119.14
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:119.00409958
Monoisotopic Mass:119.00409958
Topological Polar Surface Area:84.4
Heavy Atom Count:7
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: sulfuryl fluoride; subtrochanteric fracture; tert butyl alcohol; enterobacter cloacae; ammonium carbonate formula; l-methionine

Guide of Aceticacid,aminothioxo-,methylester(9CI)

Basic Attributes
Characteristics
Safety Information
Computed Properties

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