Basic information
- CAS
892151-80-3- Standard SMILES
O=C(c1cccs1)n1c(-c2ccccc2)csc1=Nc1ccc(Cl)cc1- InChIKey
NBGJFFXDIYIQBM-UHFFFAOYSA-N- Molecular formula
- C20H13ClN2OS2
- Average molar mass
- 396.9 g/mol
- Monoisotopic mass
- 396.0157831
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-N-(4-PH-3-(2-thienylcarbonyl)-1,3-thiazol-2(3H)-ylidene)amine
- IUPAC
- [2-(4-chlorophenyl)imino-4-phenyl-1,3-thiazol-3-yl]-thiophen-2-ylmethanone
- English name
- N-(4-Chlorophenyl)-N-(4-Ph-3-(2-thienylcarbonyl)-1,3-thiazol-2(3H)-ylidene)amine
- Molecular formula
- C20H13ClN2OS2
- Molecular weight
- 396.92
Names & synonyms
AKOS024411874N-(4-CHLOROPHENYL)-N-(4-PH-3-(2-THIENYLCARBONYL)-1,3-THIAZOL-2(3H)-YLIDENE)AMINEMethanone, [2-[(4-chlorophenyl)imino]-4-phenyl-3(2H)-thiazolyl]-2-thienyl-
Database identifiers
- CAS
892151-80-3- PubChem CID
- 4657490
- EC Number
- 131-647-8
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 569.787 · 569.787±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.362 · 1.362±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.707 · -2.707±0.20(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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