3-Pyridinecarbonitrile, 1,2-dihydro-6-phenyl-4-(2-thienyl)-2-thioxo-
Basic information
- CAS
131841-89-9- Standard SMILES
N#Cc1c(-c2cccs2)cc(-c2ccccc2)[nH]c1=S- InChIKey
DNUHQJYNULOYOB-UHFFFAOYSA-N- Molecular formula
- C16H10N2S2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.02854067
Names & identifiers
- Preferred name
- 3-Pyridinecarbonitrile, 1,2-dihydro-6-phenyl-4-(2-thienyl)-2-thioxo-
- IUPAC
- 6-phenyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
- English name
- 6-phenyl-4-(thiophen-2-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile
- Molecular formula
- C16H10N2S2
- Molecular weight
- 294.39
Names & synonyms
131841-89-93-Pyridinecarbonitrile, 1,2-dihydro-6-phenyl-4-(2-thienyl)-2-thioxo-DTXSID10351530RefChem:282037DTXCID003025966-phenyl-4-(thiophen-2-yl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile6-phenyl-2-sulfanylidene-4-thiophen-2-yl-1H-pyridine-3-carbonitrile6-PHENYL-2-SULFANYLIDENE-4-(THIOPHEN-2-YL)-1,2-DIHYDROPYRIDINE-3-CARBONITRILEOprea1_115004Oprea1_411403STK073977AKOS000487137
Show more names
CCG-110669ST040429AN-329/05740032SR-01000481126SR-01000481126-16-phenyl-4-(2-thienyl)-2-thioxohydropyridine-3-carbonitrile6-phenyl-4-(2-thienyl)-2-thioxo-1,2-dihydropyridine-3-carbonitrile6-phenyl-4-thien-2-yl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
Database identifiers
- CAS
131841-89-9- PubChem CID
- 702525
- DTXSID
DTXSID10351530- Nikkaji
- J1.211.980A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 518
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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