2-(1,2-Benzothiazol-3-yl)ethyl acetate
Completing data — refresh the page later to see the latest
Basic information
- CAS
55712-48-6- Standard SMILES
CC(=O)OCCc1nsc2ccccc12- InChIKey
KGKHNFPAMRTSNW-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104977
Names & identifiers
- Preferred name
- 2-(1,2-Benzothiazol-3-yl)ethyl acetate
- IUPAC
- 2-(1,2-benzothiazol-3-yl)ethyl acetate
- English name
- Acetic acid 2-(1,2-benzisothiazol-3-yl)ethyl ester
- Molecular formula
- C11H11NO2S
- Molecular weight
- 221.28
Names & synonyms
2-(1,2-benzothiazol-3-yl)ethyl acetateDTXSID9034357455712-48-6RefChem:249586DTXCID902946531,2-Benzisothiazole-3-ethanol, acetate (ester)KGKHNFPAMRTSNW-UHFFFAOYSA-N2-(1,2-Benzisothiazol-3-yl)ethyl acetate #1,2-Benzisothiazole-3-ethanol, 3-acetateAcetic acid 2-(1,2-benzisothiazol-3-yl)ethyl ester
Database identifiers
- CAS
55712-48-6- PubChem CID
- 590633
- DTXSID
DTXSID90343574- Nikkaji
- J133.640A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…