Benzonitrile, 2-amino-6-(phenylthio)-

HCID 486276CAS 123241-49-6
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Basic information

Standard SMILES
N#Cc1c(N)cccc1Sc1ccccc1
InChIKey
MPKFSGFZCBOCIQ-UHFFFAOYSA-N
Molecular formula
C13H10N2S
Average molar mass
226.3 g/mol
Monoisotopic mass
226.0564695

Names & identifiers

Preferred name
Benzonitrile, 2-amino-6-(phenylthio)-
IUPAC
2-amino-6-phenylsulfanylbenzonitrile

Names & synonyms

123241-49-62-amino-6-(phenylsulfanyl)benzonitrileBenzonitrile, 2-amino-6-(phenylthio)-2-Amino-6-phenylsulfanyl-benzonitrileCHEMBL52068BDBM1731SCHEMBL1772509DTXSID80333141MPKFSGFZCBOCIQ-UHFFFAOYSA-N2-Amino-6-(phenylthio)benzonitrile6-Amino-2-phenylthiobenzenecarbonitrile2-Amino-6-arylthiobenzonitrile deriv. 1a
Show more names
PD180337

Database identifiers

CAS
123241-49-6
PubChem CID
486276
DTXSID
DTXSID80333141
ChEMBL
CHEMBL52068

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
75.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Related reactions

2 records
New reaction record

Linked notes

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