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1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile structure

CAS No:
380443-05-0
Formula:
C16H13ClN2S
Chemical Name:
1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
Synonyms:
1-(3-chlorophenyl)-3-sulfanyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile;380443-05-0;1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile;ZINC3228796;AKOS000122606;MCULE-8635179114;EN300-03363;Z56828992

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1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile Basic Attributes

Molecular Weight：

300.8 g/mol

Exact Mass：

300.0487973 g/mol

Characteristics

PSA：

67.9 Å²

Computed Properties

Molecular Weight:300.8
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:300.0487973
Monoisotopic Mass:300.0487973
Topological Polar Surface Area:67.9
Heavy Atom Count:20
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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