2-Amino-6-[(3-methoxyphenyl)sulfinyl]benzonitrile
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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 propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
2 records
Compound notes
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