2-(2-Chlorophenyl)-2,3-dihydro-1,3-benzothiazole
Basic information
- CAS
13945-01-2- Standard SMILES
Clc1ccccc1C1Nc2ccccc2S1- InChIKey
NQUFSFGPHJRGPH-UHFFFAOYSA-N- Molecular formula
- C13H10ClNS
- Average molar mass
- 247.74 g/mol
- Monoisotopic mass
- 247.0222482
Names & identifiers
- Preferred name
- 2-(2-Chlorophenyl)-2,3-dihydro-1,3-benzothiazole
- IUPAC
- 2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
Names & synonyms
2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole13945-01-2DTXSID60302234RefChem:250601DTXCID10253368NSC149799Maybridge1_002326DivK1c_001078HMS548B16NSC-149799CDS1_000038
Database identifiers
- CAS
13945-01-2- PubChem CID
- 288546
- DTXSID
DTXSID60302234
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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