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3-octylsulfanylpropanenitrile

3-octylsulfanylpropanenitrile structure

CAS No:
35652-59-6
Formula:
C11H21NS
Chemical Name:
3-octylsulfanylpropanenitrile
Synonyms:
3-(Octylthio)propanenitrile;35652-59-6;UNII-3AL779JDTA;3AL779JDTA;3-(octylsulfanyl)propionitrile;NSC-63053;3-(octylsulfanyl)propanenitrile;NSC63053;3-(Octylthio)propionitrile;1-(2-Cyanoethylthio)octane;NCIOpen2_000206;Propanenitrile, 3-(octylthio)-;DTXSID40289711;ZINC1691447;3-OCTYLSULFANYL-PROPIONITRILE;AKOS024331304;MCULE-6956314362;Q27256971

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3-octylsulfanylpropanenitrile Basic Attributes

Molecular Weight：

199.36 g/mol

Exact Mass：

199.13947085 g/mol

UNII：

3AL779JDTA

NSC Number：

63053

DSSTox ID：

DTXSID40289711

Characteristics

PSA：

49.1 Å²

Computed Properties

Molecular Weight:199.36
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:199.13947085
Monoisotopic Mass:199.13947085
Topological Polar Surface Area:49.1
Heavy Atom Count:13
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-octylsulfanylpropanenitrile

Basic Attributes
Characteristics
Computed Properties

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