(4-Chlorophenyl)(5-chloro-1,3,4-thiadiazol-2-yl)methanone
Basic information
- CAS
64837-44-1- Standard SMILES
O=C(c1ccc(Cl)cc1)c1nnc(Cl)s1- InChIKey
KKALKXPZWYMLPN-UHFFFAOYSA-N- Molecular formula
- C9H4Cl2N2OS
- Average molar mass
- 259.11 g/mol
- Monoisotopic mass
- 257.9421393
Names & identifiers
- Preferred name
- (4-Chlorophenyl)(5-chloro-1,3,4-thiadiazol-2-yl)methanone
- IUPAC
- (4-chlorophenyl)-(5-chloro-1,3,4-thiadiazol-2-yl)methanone
Names & synonyms
64837-44-1DTXSID40315302(4-Chlorophenyl)(5-chloro-1,3,4-thiadiazol-2-yl)methanoneRefChem:208697DTXCID80266425NSC293904NSC-293904
Database identifiers
- CAS
64837-44-1- PubChem CID
- 325342
- DTXSID
DTXSID40315302
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
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Compound notes
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