Basic information
- CAS
119022-76-3- Standard SMILES
N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1- InChIKey
KTPFGSXXUDJFFQ-UHFFFAOYSA-N- Molecular formula
- C13H8N4S
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.04696745
Names & identifiers
- Preferred name
- 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
- IUPAC
- 2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
- English name
- 6-aMino-3,5-dicyano-4-phenyl-2(1H)-pyridinethione
- Molecular formula
- C13H8N4S
- Molecular weight
- 252.29
Names & synonyms
119022-76-32-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile6-amino-4-phenyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrileNSC6780606-Amino-4-phenyl-2-thioxo-1,2-dihydro-3,5-pyridinedicarbonitrile2-amino-4-phenyl-6-sulfanylpyridine-3,5-dicarbonitrileMLS000105852CHEMBL12151003,5-Pyridinedicarbonitrile, 6-amino-1,2-dihydro-4-phenyl-2-thioxo-SMR0001028272-amino-4-phenyl-6-sulfanyl-pyridine-3,5-dicarbonitrileOprea1_444272
Show more names
6-aMino-3,5-dicyano-4-phenyl-2(1H)-pyridinethione
Oprea1_632916SCHEMBL245321SCHEMBL935141cid_7809022-amino-6-mercapto-4-phenylpyridine-3,5-dicarbonitrileBDBM74685DTXSID70354744TQR0266
Database identifiers
- CAS
119022-76-3- PubChem CID
- 780902
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 546
Physicochemical properties
- Melting point
- 234 °C · 234 °C(Solv: acetic acid (64-19-7))
- Boiling point
- 349.4 · 349.4±52.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 4.33 · 4.33±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
扬州思域化工有限公司0514-87325867 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
Related reactions
3 records
Compound notes
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