Basic information
- CAS
19456-19-0- Standard SMILES
O=S1OC2CCCCC2O1- InChIKey
FKYAVRCOLQKIBY-UHFFFAOYSA-N- Molecular formula
- C6H10O3S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.03506535
Names & identifiers
- Preferred name
- Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-one
- IUPAC
- 3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2-oxide
Names & synonyms
19456-19-0DTXSID30941199Hexahydro-2H-1,3,2lambda~4~-benzodioxathiol-2-oneRefChem:1086550DTXCID901369642trans-1,2-Cyclohexylene sulfite1,2-CYCLOHEXANEDIOL, CYCLIC SULFITE, (E)-1,2-Cyclohexanediol, cyclic sulfite, trans-SCHEMBL418727FKYAVRCOLQKIBY-UHFFFAOYSA-NHexahydro-1,3,2-benzodioxathiole 2-oxide, trans-
Database identifiers
- CAS
19456-19-0- PubChem CID
- 29610
- DTXSID
DTXSID30941199
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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