1-Phenyl-2-thiosuccinimide
Basic information
- CAS
4166-09-0- Standard SMILES
O=C1CCC(=S)N1c1ccccc1- InChIKey
DFXVYVUGCDPBGD-UHFFFAOYSA-N- Molecular formula
- C10H9NOS
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.04048508
Names & identifiers
- Preferred name
- 1-Phenyl-2-thiosuccinimide
- IUPAC
- 1-phenyl-5-sulfanylidenepyrrolidin-2-one
- English name
- 1-Phenyl-2-thioxopyrrolidin-5-one
- Molecular formula
- C10H9NOS
- Molecular weight
- 191.25
Names & synonyms
2-Pyrrolidinone, 1-phenyl-5-thioxo-Succinimide, N-phenylthio-1-Phenyl-2-thiosuccinimide4166-09-0IJ6Z1K2ZKCNSC-158098DTXSID4073338RefChem:1056314DTXCID2039964USAF WI-2N-PhenylmonothiosuccinimideSuccinimide, N-phenyl-2-thio-
Show more names
1-Phenyl-5-thioxopyrrolidin-2-one
1-phenyl-5-sulfanylidenepyrrolidin-2-one1-Phenyl-2-thioxopyrrolidin-5-oneNSC 158098BRN 0140679N-phenylthiosuccinimideUNII-IJ6Z1K2ZKCWLN: T5VNVTJ BR& DSHSCHEMBL8938324
Database identifiers
- CAS
4166-09-0- PubChem CID
- 77826
- DTXSID
DTXSID4073338- UNII
- IJ6Z1K2ZKC
- Nikkaji
- J49.512C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 122 · 122-123 °C
- Boiling point
- 302.1 · 302.1±25.0 °C(Predicted)
- Density
- 1.1925 · 1.1925 (rough estimate)
- refractive index
- 1.525 · 1.5250 (estimate)
- pka
- -0.78 · -0.78±0.20(Predicted)
- FDA UNII
- 6 Z1K2ZKC · IJ6Z1K2ZKC
- EPA Substance Registry System
- 2 · 2-Pyrrolidinone, 1-phenyl-5-thioxo- (4166-09-0)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…