Basic information
- CAS
951122-93-3- Standard SMILES
CCc1cccc2sc(CCl)nc12- InChIKey
GUCUQDMYLJUMIA-UHFFFAOYSA-N- Molecular formula
- C10H10ClNS
- Average molar mass
- 211.71 g/mol
- Monoisotopic mass
- 211.0222482
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-4-ethyl-1,3-benzothiazole
- IUPAC
- 2-(chloromethyl)-4-ethyl-1,3-benzothiazole
- English name
- 2-(CHLOROMETHYL)-4-ETHYLBENZOTHIAZOLE
- Molecular formula
- C10H10ClNS
- Molecular weight
- 0
Names & synonyms
2-(chloromethyl)-4-ethyl-1,3-benzothiazole951122-93-3SCHEMBL201618DTXSID20702933GUCUQDMYLJUMIA-UHFFFAOYSA-N2-(CHLOROMETHYL)-4-ETHYLBENZOTHIAZOLE
Database identifiers
- CAS
951122-93-3- PubChem CID
- 53440947
- DTXSID
DTXSID20702933
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Related reactions
6 records
Compound notes
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