Rhodanine, 3-cyclohexyl-
Basic information
- CAS
6322-59-4- Standard SMILES
O=C1CSC(=S)N1C1CCCCC1- InChIKey
BXVOWLRQAIOPFZ-UHFFFAOYSA-N- Molecular formula
- C9H13NOS2
- Average molar mass
- 215.3 g/mol
- Monoisotopic mass
- 215.04385639
Names & identifiers
- Preferred name
- Rhodanine, 3-cyclohexyl-
- IUPAC
- 3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-cyclohexyl-2-sulfanylidene-thiazolidin-4-one
- Molecular formula
- C9H13NOS2
- Molecular weight
- 215.34
Names & synonyms
6322-59-4Rhodanine, 3-cyclohexyl-3-Cyclohexylrhodanine6X98RR9VTZNSC-32118DTXSID20212587RefChem:1098056DTXCID501350783-cyclohexyl-2-thioxothiazolidin-4-one3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one4-thiazolidinone, 3-cyclohexyl-2-thioxo-
Show more names
3-Cyclohexyl-2-thioxo-4-thiazolidinone, 95%3-cyclohexyl-2-sulfanylidene-thiazolidin-4-one
MFCD00086928NSC 32118BRN 0978176NSC321183-Cyclohexyl-2-thioxo-thiazolidin-4-one3-cyclohexyl-2-thioxo-1,3-thiazolan-4-oneUNII-6X98RR9VTZSCHEMBL2333205
Database identifiers
- CAS
6322-59-4- PubChem CID
- 95740
- DTXSID
DTXSID20212587- UNII
- 6X98RR9VTZ
- Nikkaji
- J989.019J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 315.6 · 315.6±25.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -1.84 · -1.84±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 X98RR9VTZ · 6X98RR9VTZ
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…