Basic information
- CAS
14176-47-7- Standard SMILES
O=S1(=O)CC(O)C(O)C1- InChIKey
LDVDYVUZEKIBDP-UHFFFAOYSA-N- Molecular formula
- C4H8O4S
- Average molar mass
- 152.17 g/mol
- Monoisotopic mass
- 152.01432991
Overview
See also: trans-Tetrahydrothiophene-3,4-diol 1,1-dioxide (annotation moved to).
Names & identifiers
- Preferred name
- 3,4-Dihydroxysulfolane
- IUPAC
- 1,1-dioxothiolane-3,4-diol
- English name
- 3,4-dihydroxysulfolane
- Molecular formula
- C4H8O4S
- Molecular weight
- 152.17
Names & synonyms
33967-48-53,4-DihydroxysulfolaneDoxilane-diolane3,4-DioxysulfolaneRefChem:911631,1-dioxothiolane-3,4-diol3,4-dihydroxytetrahydrothiophene 1,1-dioxide3,4-Dihydroxy-1lambda6-thiolane-1,1-dione14176-47-7F1294-0031BAS 018148803,4-Thiophenediol,tetrahydro-, 1,1-dioxide
Show more names
3,4-dihydroxy-1-thiolane-1,1-dione3,4-Thiophenediol, tetrahydro-, 1,1-dioxide(3R,4R)-3,4-dihydroxy-1$l^{6}-thiolane-1,1-dione
trans-3,4-dihydroxytetrahydrothiophene-1,1-dioxideSCHEMBL2801704DTXSID709311903,4-dihydroxythiolane-1,1-dioneSMSSF-0064688LBA80208PAA17647AKOS000569228
Database identifiers
- CAS
14176-47-7、33967-48-5- PubChem CID
- 85693
- DTXSID
DTXSID70931190- EC Number
- 106-000-8
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 159 · 159-160 °C
- Boiling point
- 420.7 · 420.7±45.0 °C(Predicted)
- Density
- 1.704 · 1.704±0.06 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.40(Predicted)
Chemistry & industry
Suppliers1 total
南京新瑞医药科技有限公司19850079587 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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