Basic information
- CAS
56864-78-9- Standard SMILES
CN1c2ccccc2SC1c1ccc(Cl)cc1- InChIKey
QLTYFGIDYNILOK-UHFFFAOYSA-N- Molecular formula
- C14H12ClNS
- Average molar mass
- 261.8 g/mol
- Monoisotopic mass
- 261.0378983
Names & identifiers
- Preferred name
- Benzothiazole, 2-(4-chlorophenyl)-2,3-dihydro-3-methyl-
- IUPAC
- 2-(4-chlorophenyl)-3-methyl-2H-1,3-benzothiazole
Names & synonyms
56864-78-9Benzothiazole, 2-(4-chlorophenyl)-2,3-dihydro-3-methyl-DTXSID304814442-(4-Chlorophenyl)-3-methyl-2,3-dihydro-1,3-benzothiazole
Database identifiers
- CAS
56864-78-9- PubChem CID
- 12229331
- DTXSID
DTXSID30481444
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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