Basic information
- CAS
112519-51-4- Standard SMILES
CS(=O)c1cc(=O)c2ccccc2s1- InChIKey
KVLAIBRBZGWARL-UHFFFAOYSA-N- Molecular formula
- C10H8O2S2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 223.99657184
Names & identifiers
- Preferred name
- 4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-
- IUPAC
- 2-methylsulfinylthiochromen-4-one
- English name
- 4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-
- Molecular formula
- C10H8O2S2
- Molecular weight
- 224.3
Names & synonyms
112519-51-44H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-DTXSID50326929RefChem:297438DTXCID202780422-methylsulfinylthiochromen-4-oneNSC622281CHEMBL1964406NSC-622281NCI60_0064762-(Methanesulfinyl)-4H-1-benzothiopyran-4-one2-methylsulfinyl-1-thiochromone
Database identifiers
- CAS
112519-51-4- PubChem CID
- 360259
- DTXSID
DTXSID50326929- ChEMBL
CHEMBL1964406
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 416.8 · 416.8±45.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…