Basic information
- CAS
70540-36-2- Standard SMILES
Clc1ccccc1-c1nsc(-c2ccccc2Cl)n1- InChIKey
YZJMJRZUCJHBTC-UHFFFAOYSA-N- Molecular formula
- C14H8Cl2N2S
- Average molar mass
- 307.2 g/mol
- Monoisotopic mass
- 305.9785248
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole, 3,5-bis(2-chlorophenyl)-
- IUPAC
- 3,5-bis(2-chlorophenyl)-1,2,4-thiadiazole
Names & synonyms
3,5-Bis(2-chlorophenyl)-1,2,4-thiadiazoleBRN 06186541,3,4-Thiadiazole, 3,5-bis(2-chlorophenyl)-3,5-Bis(2-chlorophenyl)-1,3,4-thiadiazole70540-36-2DTXSID202208041,2,4-Thiadiazole, 3,5-bis(2-chlorophenyl)-RefChem:217052DTXCID10143295CHEMBL1939524BDBM50361950
Database identifiers
- CAS
70540-36-2- PubChem CID
- 198531
- DTXSID
DTXSID20220804- ChEMBL
CHEMBL1939524- Nikkaji
- J2.758.505A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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