1,3,4-Thiadiazole, 2,5-bis(4-chlorophenyl)-
Basic information
- CAS
17452-97-0- Standard SMILES
Clc1ccc(-c2nnc(-c3ccc(Cl)cc3)s2)cc1- InChIKey
PIWVDSXDGARDHB-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2N2S
- Average molar mass
- 307.2 g/mol
- Monoisotopic mass
- 305.9785248
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole, 2,5-bis(4-chlorophenyl)-
- IUPAC
- 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole
Names & synonyms
17452-97-01,3,4-Thiadiazole, 2,5-bis(4-chlorophenyl)-DTXSID50360924RefChem:217031DTXCID903119752,5-bis(4-chlorophenyl)-1,3,4-thiadiazoleAKOS004906171AA-504/11221107
Database identifiers
- CAS
17452-97-0- PubChem CID
- 1201577
- DTXSID
DTXSID50360924- Nikkaji
- J2.086.777I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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