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2-Pyrazinecarbothioamide

2-Pyrazinecarbothioamide structure

CAS No:
4604-72-2
Formula:
C5H5N3S
Chemical Name:
2-Pyrazinecarbothioamide
Synonyms:
2-Pyrazinecarbothioamide;Pyrazinecarboxamide,thio-;Pyrazinecarbothioamide;Pyrazinecarboxylic acid thioamide;2-Pyrazinethiocarboxamide;Pyrazinethiocarboxamide;NSC 18377;Pyrazine-2-carbothioamide

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2-Pyrazinecarbothioamide Basic Attributes

Molecular Weight：

139.176

Exact Mass：

139.18

UNII：

JI046KHA6S

NSC Number：

18377

DSSTox ID：

DTXSID00196699

HScode：

2933990090

Characteristics

PSA：

83.9

XLogP3：

0.90

Density：

1.4±0.1 g/cm3

Melting Point：

195-196 °C

Boiling Point：

292.9±43.0 °C at 760 mmHg

Flash Point：

131.0±28.2 °C

Refractive Index：

1.678

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

26-36/39

RTECS Number：

uq2360000

Marks：

Xi: Irritant;

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H317-H318

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:139.18
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:139.02041835
Monoisotopic Mass:139.02041835
Topological Polar Surface Area:83.9
Heavy Atom Count:9
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Pyrazinecarbothioamide

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-Pyrazinecarbothioamide

SDS

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