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4-benzylsulfanylbutan-2-one

4-benzylsulfanylbutan-2-one structure

CAS No:
19360-96-4
Formula:
C11H14OS
Chemical Name:
4-benzylsulfanylbutan-2-one
Synonyms:
19360-96-4;4-(benzylsulfanyl)butan-2-one;4-benzylsulfanylbutan-2-one;NSC121886;4-(Benzylthio)-2-butanone;4-(benzylsulfanyl)-2-butanone;SCHEMBL5935700;DTXSID10298239;ZINC1711042;AKOS009029853;2-Butanone, 4-[(phenylmethyl)thio]-;NSC-121886

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4-benzylsulfanylbutan-2-one Basic Attributes

Molecular Weight：

194.30 g/mol

Exact Mass：

194.07653624 g/mol

NSC Number：

121886

DSSTox ID：

DTXSID10298239

Characteristics

PSA：

42.4 Å²

Computed Properties

Molecular Weight:194.30
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:194.07653624
Monoisotopic Mass:194.07653624
Topological Polar Surface Area:42.4
Heavy Atom Count:13
Complexity:150
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-benzylsulfanylbutan-2-one

Basic Attributes
Characteristics
Computed Properties

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