2,4-Dichloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide
Basic information
- CAS
314023-45-5- Standard SMILES
CCSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1- InChIKey
PDZUAWIKNFAEES-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2N3OS2
- Average molar mass
- 334.2 g/mol
- Monoisotopic mass
- 332.9564097
Names & identifiers
- Preferred name
- 2,4-Dichloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide
- IUPAC
- 2,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
- English name
- 2,4-dichloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
- Molecular formula
- C11H9Cl2N3OS2
- Molecular weight
- 334.24
Names & synonyms
314023-45-52,4-Dichloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]benzamide2,4-Dichloro-N-(5-(ethylthio)-1,3,4-thiadiazol-2-yl)benzamideRefChem:2463262,4-dichloro-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamideCBMicro_024681Cambridge id 5556643Oprea1_579334Oprea1_864109DTXSID2011813962,4-dichloro-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamideCCG-11469
Show more names
Benzamide, 2,4-dichloro-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-
STK386028AKOS000578831BIM-0024647.P001ST50911222AK-968/11367470(2,4-dichlorophenyl)-N-(5-ethylthio(1,3,4-thiadiazol-2-yl))carboxamide
Database identifiers
- CAS
314023-45-5- PubChem CID
- 739903
- DTXSID
DTXSID201181396
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 6.24 · 6.24±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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