Basic information
- CAS
634151-19-2- Standard SMILES
Cc1ccc(C)c(N2C(=O)CCC2=S)c1- InChIKey
YUQKWMGNPYHDLH-UHFFFAOYSA-N- Molecular formula
- C12H13NOS
- Average molar mass
- 219.3 g/mol
Names & identifiers
- Preferred name
- 1-(2,5-Dimethylphenyl)-5-thioxopyrrolidin-2-one
- IUPAC
- 1-(2,5-dimethylphenyl)-5-sulfanylidenepyrrolidin-2-one
- English name
- 2-Pyrrolidinone, 1-(2,5-dimethylphenyl)-5-thioxo-, (1S)- (9CI)
- Molecular formula
- C12H13NOS
- Molecular weight
- 219.3
Names & synonyms
1-(2,5-Dimethylphenyl)-5-thioxopyrrolidin-2-one634151-19-2634151-20-5N-(2,5-dimethylphenyl)monothiosuccinimide2-Pyrrolidinone, 1-(2,5-dimethylphenyl)-5-thioxo-, (1S)- (9CI)
Database identifiers
- CAS
634151-19-2- Nikkaji
- J1.616.137C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 289
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…