Basic information
- Standard SMILES
CC(C(=O)O)c1ccc2[nH]c(=S)sc2c1- InChIKey
NCBKVWRPMLNBIU-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S2
- Average molar mass
- 239.3 g/mol
Names & identifiers
- Preferred name
- 2-(2-Thioxo-2,3-dihydro-benzothiazol-6-yl)-propionic acid
- IUPAC
- 2-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)propanoic acid
Names & synonyms
SCHEMBL4145357NCBKVWRPMLNBIU-UHFFFAOYSA-N2-(2-Thioxo-2,3-dihydro-benzothiazol-6-yl)-propionic acid
Database identifiers
- PubChem CID
- 57742140
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 295
Related reactions
3 records
Compound notes
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