Basic information
- CAS
14799-06-5- Standard SMILES
O=S1(=O)CCCC1C(O)(c1ccccc1)c1ccccc1- InChIKey
QPAKBUVGLPWWGD-UHFFFAOYSA-N- Molecular formula
- C17H18O3S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.09766561
Names & identifiers
- Preferred name
- alpha,alpha-Diphenyl-2-sulfolanemethanol
- IUPAC
- (1,1-dioxothiolan-2-yl)-diphenylmethanol
- English name
- alpha,alpha-Diphenyl-2-sulfolanemethanol
- Molecular formula
- C17H18O3S
- Molecular weight
- 302.39
Names & synonyms
14799-06-5NSC137588ALPHA,ALPHA-DIPHENYL-2-SULFOLANEMETHANOL2-Thiophenemethanol,tetrahydro-a,a-diphenyl-, 1,1-dioxideDTXSID70300569AKOS024324455NSC-137588DS-0137422-[Hydroxydi(phenyl)methyl]-1lambda~6~-thiolane-1,1-dione2-Thiophenemethanol, tetrahydro-α,α-diphenyl-, 1,1-dioxide
Database identifiers
- CAS
14799-06-5- PubChem CID
- 283221
- DTXSID
DTXSID70300569
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Boiling point
- 538.1 · 538.1±30.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- 12.24 · 12.24±0.29(Predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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