Basic information
- CAS
14204-24-1- Standard SMILES
O=C1CCC(=O)N1Sc1ccccc1- InChIKey
SCAKFUJVCFIFOX-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.03539953
Names & identifiers
- Preferred name
- 1-(Phenylthio)pyrrolidine-2,5-dione
- IUPAC
- 1-phenylsulfanylpyrrolidine-2,5-dione
- English name
- 1-(phenylthio)pyrrolidine-2,5-dione
- Molecular formula
- C10H9NO2S
- Molecular weight
- 207.25
Names & synonyms
14204-24-11-(phenylthio)pyrrolidine-2,5-dione1-(PHENYLSULFANYL)PYRROLIDINE-2,5-DIONEN-(phenylthio)succinimideNSC6250401-phenylsulfanylpyrrolidine-2,5-dione2,5-Pyrrolidinedione, 1-(phenylthio)-1-(Phenylthio)-2,5-pyrrolidinedioneN-(Phenylsulfanyl)succinimideSCHEMBL812586CHEMBL2001616DTXSID50326984
Show more names
SCAKFUJVCFIFOX-UHFFFAOYSA-NMFCD19441155AKOS015840603HS-5646NSC-6250401-phenylsulfanyl-pyrrolidine-2,5-dione1-(phenylsulfanyl)-2,5-pyrrolidinedioneNCI60_007676
Database identifiers
- CAS
14204-24-1- PubChem CID
- 361774
- DTXSID
DTXSID50326984- ChEMBL
CHEMBL2001616- EC Number
- 178-479-1
- Nikkaji
- J1.321.810B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Boiling point
- 343.4 · 343.4±25.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -2.3 · -2.30±0.20(Predicted)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
2 records
Compound notes
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