2-Amino-6-[(3-methoxyphenyl)sulfinyl]benzonitrile

HCID 486331
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Basic information

Standard SMILES
COc1cccc(S(=O)c2cccc(N)c2C#N)c1
InChIKey
DTAPEXKJTDIXLQ-UHFFFAOYSA-N
Molecular formula
C14H12N2O2S
Average molar mass
272.32 g/mol

Names & identifiers

Preferred name
2-Amino-6-[(3-methoxyphenyl)sulfinyl]benzonitrile
IUPAC
2-amino-6-(3-methoxyphenyl)sulfinylbenzonitrile

Names & synonyms

CHEMBL550072-Amino-6-[(3-methoxyphenyl)sulfinyl]benzonitrileBDBM1757SCHEMBL86409136-Amino-2-[(3-methoxyphenyl)sulfinyl]benzenecarbonitrileDTAPEXKJTDIXLQ-UHFFFAOYSA-NBDBM504802222-Amino-6-arylthiobenzonitrile deriv. 2b2-amino-6-(3-methoxyphenyl)sulfinyl-benzonitrile2-amino-6-[(3-methoxybenzene)sulfinyl]benzonitrile

Database identifiers

PubChem CID
486331
ChEMBL
CHEMBL55007
Nikkaji
J2.309.583A

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
95.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19

Related reactions

2 records
New reaction record

Linked notes

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