Bis[4-amino-3-cyanophenyl]sulfide
Basic information
- CAS
61382-02-3- Standard SMILES
N#Cc1cc(Sc2ccc(N)c(C#N)c2)ccc1N- InChIKey
HSUYVLRLGOKVNJ-UHFFFAOYSA-N- Molecular formula
- C14H10N4S
- Average molar mass
- 266.32 g/mol
- Monoisotopic mass
- 266.06261751
Names & identifiers
- Preferred name
- Bis[4-amino-3-cyanophenyl]sulfide
- IUPAC
- 2-amino-5-(4-amino-3-cyanophenyl)sulfanylbenzonitrile
- English name
- 2-amino-5-[(4-amino-3-cyanophenyl)sulfanyl]benzonitrile
- Molecular formula
- C14H10N4S
- Molecular weight
- 266.321
Names & synonyms
Bis[4-amino-3-cyanophenyl]sulfide61382-02-3NSC695264Benzonitrile, 3,3'-thiobis[6-amino-2-amino-5-(4-amino-3-cyanophenyl)sulfanylbenzonitrileCHEMBL1983928DTXSID30327853HSUYVLRLGOKVNJ-UHFFFAOYSA-NNSC-6952643,3'-Sulfanediylbis(6-aminobenzonitrile)NCI60_034098AE-413/36101002
Show more names
2-amino-5-(4-amino-3-cyano-phenyl)sulfanyl-benzonitrile2-amino-5-[(4-amino-3-cyanophenyl)sulfanyl]benzonitrile
Database identifiers
- CAS
61382-02-3- PubChem CID
- 393410
- DTXSID
DTXSID30327853- ChEMBL
CHEMBL1983928
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
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Related reactions
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Compound notes
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