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3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE

3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE structure

CAS No:
5307-86-8
Formula:
C9H8ClNS
Chemical Name:
3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE
Synonyms:
3-[(4-chlorophenyl)thio]propanenitrile;3-[(4-chlorophenyl)sulfanyl]propanenitrile;3-(4-chlorophenylthio)propanenitrile;3-(4-chlorophenyl)sulfanylpropanenitrile;SCHEMBL11617330;CTK4J7029;DTXSID30365210;ZINC2163510;3-(p-Chlorophenylthio)-propionitrile;SBB092222

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3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE Basic Attributes

Molecular Weight：

197.68500

Exact Mass：

197.00700

DSSTox ID：

DTXSID30365210

HScode：

2930909090

Characteristics

PSA：

49.09000

XLogP3：

3.34578

Density：

1.24g/cm3

Melting Point：

54-55 °C(Solv: ethanol (64-17-5))

Boiling Point：

339.3ºC at 760 mmHg

Flash Point：

159ºC

Refractive Index：

1.589

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:197.69
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:197.0065981
Monoisotopic Mass:197.0065981
Topological Polar Surface Area:49.1
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-[(4-CHLOROPHENYL)THIO]PROPANENITRILE

SDS

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