2-Quinoline thioacetamide hydrochloride
Basic information
- CAS
31293-15-9- Standard SMILES
Cl.NC(=S)Cc1ccc2ccccc2n1- InChIKey
LVBBHIGUKSDRMB-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2S
- Average molar mass
- 238.74 g/mol
- Monoisotopic mass
- 238.0331472
Names & identifiers
- Preferred name
- 2-Quinoline thioacetamide hydrochloride
- IUPAC
- 2-quinolin-2-ylethanethioamide;hydrochloride
Names & synonyms
2-Quinoline thioacetamide hydrochloride31293-15-92-Quinoline thioacetamide HClSCHEMBL3498851DTXSID80185208(Quinolin-2-yl)ethanethioamide--hydrogen chloride (1/1)
Database identifiers
- CAS
31293-15-9- PubChem CID
- 3036263
- DTXSID
DTXSID80185208
Properties
Computed structural properties
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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