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5-Mercaptopentanenitrile

5-Mercaptopentanenitrile structure

CAS No:
1053658-37-9
Formula:
C5H9NS
Chemical Name:
5-Mercaptopentanenitrile
Synonyms:
4-Cyano-1-butanethiol;5-Mercaptopentanenitrile;4-Cyano-1-butanethiol 97%
Categories:
Chemical Reagents > Organic Reagents

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5-Mercaptopentanenitrile Basic Attributes

Molecular Weight：

115.19666

Exact Mass：

115.04600

DSSTox ID：

DTXSID50621840

Characteristics

PSA：

24.8

XLogP3：

1.61008

Density：

0.995 g/mL at 25 °C

Flash Point：

109 °C

Refractive Index：

n20/D 1.482

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Computed Properties

Molecular Weight:115.20
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:115.04557046
Monoisotopic Mass:115.04557046
Topological Polar Surface Area:24.8
Heavy Atom Count:7
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes