Basic information
- CAS
317377-35-8- Standard SMILES
CN=C(SCc1ccc(Cl)cc1)N1CCC(=O)N1.Cl- InChIKey
ZFUUREMVIVCXRF-UHFFFAOYSA-N- Molecular formula
- C12H15Cl2N3OS
- Average molar mass
- 320.2 g/mol
- Monoisotopic mass
- 319.0312887
Names & identifiers
- Preferred name
- 1-[(1E)-{[(4-chlorophenyl)methyl]sulfanyl}(methylimino)methyl]pyrazolidin-3-one hydrochloride
- IUPAC
- (4-chlorophenyl)methyl N-methyl-3-oxopyrazolidine-1-carboximidothioate;hydrochloride
Names & synonyms
317377-35-81-[(1E)-{[(4-chlorophenyl)methyl]sulfanyl}(methylimino)methyl]pyrazolidin-3-one hydrochloride(4-chlorophenyl)methyl N-methyl-3-oxopyrazolidine-1-carboximidothioate;hydrochlorideAKOS0376561631-[(1E)-{[(4-chlorophenyl)methyl]sulfanyl}(methylimino)methyl]pyrazolidin-3-onehydrochloride
Database identifiers
- CAS
317377-35-8- PubChem CID
- 138111069
Properties
Computed structural properties
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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