Isopropyl (1,3-benzothiazol-2-ylthio)acetate
Basic information
- CAS
6103-82-8- Standard SMILES
CC(C)OC(=O)CSc1nc2ccccc2s1- InChIKey
WCMLSZGTZCUCPL-UHFFFAOYSA-N- Molecular formula
- C12H13NO2S2
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.038771
Names & identifiers
- Preferred name
- Isopropyl (1,3-benzothiazol-2-ylthio)acetate
- IUPAC
- propan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
Names & synonyms
isopropyl (1,3-benzothiazol-2-ylthio)acetate6103-82-8propan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)acetateMLS000061472SMR000070651Propan-2-yl [(1,3-benzothiazol-2-yl)sulfanyl]acetateChemDiv3_001545cid_719923CHEMBL1602711BDBM32104DTXSID20976531HMS1477G05
Show more names
HMS2327H15AKOS001633882IDI1_020511methylethyl 2-benzothiazol-2-ylthioacetateST50188964BRD-K52690571-001-01-7propan-2-yl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate2-(1,3-benzothiazol-2-ylthio)acetic acid isopropyl ester
Database identifiers
- CAS
6103-82-8- PubChem CID
- 719923
- DTXSID
DTXSID20976531- ChEMBL
CHEMBL1602711
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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