Ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoate
Basic information
- CAS
655251-61-9- Standard SMILES
CCOC(=O)C(C)Sc1nc2cc(Cl)ccc2s1- InChIKey
ICRZIBPHKIOCTR-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO2S2
- Average molar mass
- 301.8 g/mol
- Monoisotopic mass
- 300.9997987
Names & identifiers
- Preferred name
- Ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoate
- IUPAC
- ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoate
Names & synonyms
655251-61-9Ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]propanoateSCHEMBL5946353DTXSID90659223ICRZIBPHKIOCTR-UHFFFAOYSA-N2-(5-Chloro-benzothiazol-2-yl-sulfanyl)-propionic Acid Ethyl Ester
Database identifiers
- CAS
655251-61-9- PubChem CID
- 44478908
- DTXSID
DTXSID90659223
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…