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3-bromo-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile

3-bromo-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile structure

CAS No:
70259-78-8
Formula:
C14H17BrN2S2
Chemical Name:
3-bromo-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile
Synonyms:
3-bromo-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile;70259-78-8;NSC329009;DTXSID20318331;NSC-329009;DS-014102

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3-bromo-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile Basic Attributes

Molecular Weight：

357.3 g/mol

Exact Mass：

356.00165 g/mol

NSC Number：

329009

DSSTox ID：

DTXSID20318331

Characteristics

PSA：

77.6 Å²

Computed Properties

Molecular Weight:357.3
XLogP3:4.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:356.00165
Monoisotopic Mass:356.00165
Topological Polar Surface Area:77.6
Heavy Atom Count:19
Complexity:344
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-bromo-1,4-bis(ethylsulfanyl)-3,4-dihydro-1H-isoquinoline-2-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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