Basic information
- CAS
3889-20-1- Standard SMILES
O=C1CSC(=S)N1CCc1ccccc1- InChIKey
VYNFNTKJZYOOPO-UHFFFAOYSA-N- Molecular formula
- C11H11NOS2
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.02820632
Names & identifiers
- Preferred name
- 3-Phenethyl-2-thioxothiazolidin-4-one
- IUPAC
- 3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- Rhodanine, 3-phenethyl-
- Molecular formula
- C11H11NOS2
- Molecular weight
- 237.34
Names & synonyms
3889-20-1Rhodanine, 3-phenethyl-3-Phenethyl-2-thioxothiazolidin-4-oneDTXSID60192137RefChem:1068467DTXCID701146283-Phenethylrhodanine3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-oneBRN 0183984MFCD00174879Maybridge3_005729
Show more names
4-Thiazolidinone, 3-(2-phenylethyl)-2-thioxo-
CHEMBL225554SCHEMBL3317084VYNFNTKJZYOOPO-UHFFFAOYSA-NHMS1447E09BBL041059NSC831693SBB023518STK353605
Database identifiers
- CAS
3889-20-1- PubChem CID
- 199253
- DTXSID
DTXSID60192137- ChEMBL
CHEMBL225554
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Melting point
- 111 · 111-112 °C
- Boiling point
- 369 · 369.0±35.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -1.85 · -1.85±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…