[(2-Methylsulfanyl-1,3-benzothiazol-6-yl)amino] propanoate
Basic information
- CAS
633300-12-6- Standard SMILES
CCC(=O)ONc1ccc2nc(SC)sc2c1- InChIKey
UCXGASICHYMQSI-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.03401998
Names & identifiers
- Preferred name
- [(2-Methylsulfanyl-1,3-benzothiazol-6-yl)amino] propanoate
- IUPAC
- [(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino] propanoate
- English name
- 2-(Methylsulfanyl)-6-[(propionyloxy)amino]-1,3-benzothiazole
- Molecular weight
- 0
Names & synonyms
[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino] propanoateAKOS024342744ST505606172-(METHYLSULFANYL)-6-[(PROPIONYLOXY)AMINO]-1,3-BENZOTHIAZOLE
Database identifiers
- CAS
633300-12-6- PubChem CID
- 3573508
- EC Number
- 152-466-0
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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