Basic information
- CAS
21344-54-7- Standard SMILES
NC(=S)CCc1nc2ccccc2s1- InChIKey
ILZVFSGBQOBAJX-UHFFFAOYSA-N- Molecular formula
- C10H10N2S2
- Average molar mass
- 222.3 g/mol
- Monoisotopic mass
- 222.02854067
Names & identifiers
- Preferred name
- 3-(1,3-Benzothiazol-2-yl)propanethioamide
- IUPAC
- 3-(1,3-benzothiazol-2-yl)propanethioamide
- English name
- 2-Benzothiazolepropionamide,thio-(8CI)
- Molecular formula
- C10H10N2S2
- Molecular weight
- 222.33
Names & synonyms
3-(1,3-benzothiazol-2-yl)propanethioamide21344-54-7EN300-18279612-Benzothiazolepropanethioamide2-Benzothiazolepropionamide,thio-(8CI)
Database identifiers
- CAS
21344-54-7- PubChem CID
- 130154587
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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