Hexahydro-1,3,2-benzodioxathiole 2,2-dioxide
Basic information
- CAS
6970-90-7- Standard SMILES
O=S1(=O)OC2CCCCC2O1- InChIKey
RQZYATSEWICBFV-UHFFFAOYSA-N- Molecular formula
- C6H10O4S
- Average molar mass
- 178.21 g/mol
- Monoisotopic mass
- 178.02997997
Names & identifiers
- Preferred name
- Hexahydro-1,3,2-benzodioxathiole 2,2-dioxide
- IUPAC
- 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
- English name
- Nsc62660
- Molecular formula
- C6H10O4S
- Molecular weight
- 178.21
Names & synonyms
Hexahydro-1,3,2-benzodioxathiole 2,2-dioxideNSC 62659NSC 626606970-90-7NSC62660NSC62659NCIOpen2_000011NCIOpen2_000051SCHEMBL2713698RQZYATSEWICBFV-UHFFFAOYSA-N3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxideHexahydro-1,3,2-benzodioxathiol-2,2-dioxide
Show more names
Aids159925Aids-1599251,3,2-Benzodioxathiole, hexahydro-, 2,2-dioxide, (3aR,7aS)-rel-
Database identifiers
- CAS
6970-90-7- PubChem CID
- 499995
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 293.252 · 293.252±7.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Related reactions
1 records
Compound notes
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