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4-methylsulfanyl-2-phenylbutanenitrile

4-methylsulfanyl-2-phenylbutanenitrile structure

CAS No:
75908-66-6
Formula:
C11H13NS
Chemical Name:
4-methylsulfanyl-2-phenylbutanenitrile
Synonyms:
75908-66-6;NSC166272;DTXSID60304556;NSC-166272;4-(methylsulfanyl)-2-phenylbutanenitrile

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4-methylsulfanyl-2-phenylbutanenitrile Basic Attributes

Molecular Weight：

191.29 g/mol

Exact Mass：

191.07687059 g/mol

NSC Number：

166272

DSSTox ID：

DTXSID60304556

Characteristics

PSA：

49.1 Å²

Computed Properties

Molecular Weight:191.29
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:191.07687059
Monoisotopic Mass:191.07687059
Topological Polar Surface Area:49.1
Heavy Atom Count:13
Complexity:176
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-methylsulfanyl-2-phenylbutanenitrile

Basic Attributes
Characteristics
Computed Properties

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