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2-Mercaptopyrazine

2-Mercaptopyrazine structure

CAS No:
38521-06-1
Formula:
C4 H4 N2 S
Chemical Name:
2-Mercaptopyrazine
Synonyms:
2-Mercaptopyrazine;pyrazine-2(1H)-thione;2-Mercaptopyrazine 97% (HPLC)
Categories:
Flavors and Fragrances > Synthetic Fragrances

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2-Mercaptopyrazine Basic Attributes

Molecular Weight：

112.15

Exact Mass：

112.009521

DSSTox ID：

DTXSID20395425

HScode：

2933990090

Characteristics

PSA：

56.5

XLogP3：

0.97

Density：

1.3±0.1 g/cm3

Melting Point：

207-213°C

Boiling Point：

206.9±20.0 °C at 760 mmHg

Flash Point：

78.9±21.8 °C

Refractive Index：

1.608

Storage Conditions：

2-8°C

Safety Information

wgk germany：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-mercaptopyrazine

Computed Properties

Molecular Weight:112.16
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:112.00951931
Monoisotopic Mass:112.00951931
Topological Polar Surface Area:56.5
Heavy Atom Count:7
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Mercaptopyrazine

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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2-Mercaptopyrazine

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