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3-(ACETYLTHIO)PROPIONITRILE97

3-(ACETYLTHIO)PROPIONITRILE97 structure

CAS No:
119174-33-3
Formula:
CH3COS(CH2)2CN
Chemical Name:
3-(ACETYLTHIO)PROPIONITRILE97
Synonyms:
3-(Acetylthio)propionitrile;S-3-acetylthiopropionitrile;S-(2-cyanoethyl) ethanethioate;ACMC-20anjb;SCHEMBL5276561;CTK4B1108;DTXSID80409118;3-(Acetylthio)propionitrile, 97%;ZINC2584629;AKOS025294147

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3-(ACETYLTHIO)PROPIONITRILE97 Basic Attributes

Molecular Weight：

129.18

Exact Mass：

129.02500

DSSTox ID：

DTXSID80409118

Characteristics

PSA：

66.16000

XLogP3：

1.17978

Density：

1.120 g/mL at 25ºC(lit.)

Boiling Point：

246-247 °C(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D 1.4930(lit.)

Safety Information

Transport codes：

UN 3334

wgk germany：

Computed Properties

Molecular Weight:129.18
XLogP3:0.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:129.02483502
Monoisotopic Mass:129.02483502
Topological Polar Surface Area:66.2
Heavy Atom Count:8
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(ACETYLTHIO)PROPIONITRILE97

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(ACETYLTHIO)PROPIONITRILE97

SDS

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