Basic information
- CAS
37014-01-0- Standard SMILES
O=C1CC(c2ccccc2)SC(c2ccccc2)C1- InChIKey
PPJHHCQGZVIWAR-UHFFFAOYSA-N- Molecular formula
- C17H16OS
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.0921863
Names & identifiers
- Preferred name
- 2,6-Diphenyltetrahydro-4H-thiopyran-4-one
- IUPAC
- 2,6-diphenylthian-4-one
- English name
- 2,6-DIPHENYL-TETRAHYDRO-THIOPYRAN-4-ONE
- Molecular formula
- C17H16OS
- Molecular weight
- 268.37
Names & synonyms
37014-01-02,6-diphenylthian-4-one2,6-Diphenyl-tetrahydro-thiopyran-4-one2,6-Diphenyltetrahydro-4H-thiopyran-4-one2,6-Diphenyldihydro-2H-thiopyran-4(3H)-one2,6-Diphenyl-thiacyclohexanone-4MFCD011267802,6-diphenyltetrahydrothiopyran-4-oneIFLab1_001660SCHEMBL4877147DTXSID50958188PPJHHCQGZVIWAR-UHFFFAOYSA-N
Show more names
4H-Thiopyran-4-one, tetrahydro-2,6-diphenyl-2,6-diphenyltetrahydro-4H-thiopyran-4-one(SALTDATA: FREE)
HMS1416L10AKOS001031092AKOS016042769CCG-107355NCGC00331435-01ST072447tetrahydro-2,6-diphenyl-4H-thiopyran-4-oneAB01325292-02
Database identifiers
- CAS
37014-01-0- PubChem CID
- 142121
- DTXSID
DTXSID50958188- Nikkaji
- J1.367.150H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 112 · 112-113 °C
- Boiling point
- 266.34 °C · 266.34°C (rough estimate)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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