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5-(Acetylsulfanyl)-pentanenitrile,S-(4-Cyanobutyl)ethanethioate,Thiolacetylpentanenitrile

5-(Acetylsulfanyl)-pentanenitrile,S-(4-Cyanobutyl)ethanethioate,Thiolacetylpentanenitrile structure

CAS No:
252949-42-1
Formula:
C7H11NOS
Chemical Name:
5-(Acetylsulfanyl)-pentanenitrile,S-(4-Cyanobutyl)ethanethioate,Thiolacetylpentanenitrile
Synonyms:
S-(4-Cyanobutyl)thioacetate;S-(4-cyanobutyl) ethanethioate;SCHEMBL625146;CTK8G3021;DTXSID70621842;S-(4-Cyanobutyl)thioacetate, 97%;ZINC45074619;J-015919

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5-(Acetylsulfanyl)-pentanenitrile,S-(4-Cyanobutyl)ethanethioate,Thiolacetylpentanenitrile Basic Attributes

Molecular Weight：

157.23334

Exact Mass：

157.05600

DSSTox ID：

DTXSID70621842

Characteristics

PSA：

66.16000

XLogP3：

1.95998

Density：

1.057 g/mL at 25 °C

Flash Point：

>110℃

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22

safety instructions：

36/37

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H319-H332

Computed Properties

Molecular Weight:157.24
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:157.05613515
Monoisotopic Mass:157.05613515
Topological Polar Surface Area:66.2
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(Acetylsulfanyl)-pentanenitrile,S-(4-Cyanobutyl)ethanethioate,Thiolacetylpentanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

5-(Acetylsulfanyl)-pentanenitrile,S-(4-Cyanobutyl)ethanethioate,Thiolacetylpentanenitrile

SDS

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