3,4-Thiophenediol, tetrahydro-, 3,4-diacetate, 1,1-dioxide
Basic information
- CAS
3050-91-7- Standard SMILES
CC(=O)OC1CS(=O)(=O)CC1OC(C)=O- InChIKey
PSPSJBDHUMRVKH-UHFFFAOYSA-N- Molecular formula
- C8H12O6S
- Average molar mass
- 236.24 g/mol
- Monoisotopic mass
- 236.03545927
Names & identifiers
- Preferred name
- 3,4-Thiophenediol, tetrahydro-, 3,4-diacetate, 1,1-dioxide
- IUPAC
- (4-acetyloxy-1,1-dioxothiolan-3-yl) acetate
Names & synonyms
3050-91-73,4-Thiophenediol, tetrahydro-, 3,4-diacetate, 1,1-dioxideRefChem:2713401,1-dioxidotetrahydrothiophene-3,4-diyl diacetateF1068-02043,4-diacetoxysulfolane(4-acetyloxy-1,1-dioxothiolan-3-yl) acetateDTXSID001192094SMSSF-0063363AKOS000526199AKOS0163034994-acetyloxy-1,1-dioxothiolan-3-yl acetate
Show more names
EU-0046791ST501172691,1-dioxidotetrahydrothiene-3,4-diyl diacetate1,1-Dioxo-1lambda~6~-thiolane-3,4-diyl diacetateZ567659143,4-diacetoxy-1-oxo-1lambda-tetrahydro-1H-thiophen-1-ium-1-olate
Database identifiers
- CAS
3050-91-7- PubChem CID
- 2856643
- DTXSID
DTXSID001192094
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 335
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Related reactions
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Compound notes
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