Basic information
- Standard SMILES
CN(C)CC1CSCCC1=O.Cl- InChIKey
RIDLVKSNLUQCRM-UHFFFAOYSA-N- Molecular formula
- C8H16ClNOS
- Average molar mass
- 209.74 g/mol
- Monoisotopic mass
- 209.064113
Names & identifiers
- Preferred name
- 3-Dimethylaminomethyl-tetrahydrothiopyran-4-one hydrochloride
- IUPAC
- 3-[(dimethylamino)methyl]thian-4-one;hydrochloride
Names & synonyms
SCHEMBL4868599RIDLVKSNLUQCRM-UHFFFAOYSA-N3-dimethylaminomethyl-tetrahydrothiopyran-4-one hydrochloride
Database identifiers
- PubChem CID
- 13317367
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
1 records
Compound notes
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