Basic information
- CAS
63549-11-1- Standard SMILES
CC1=CC2=C(CC(C)CC2)OS1(=O)=O- InChIKey
CWOWZSGGRBFAGS-UHFFFAOYSA-N- Molecular formula
- C10H14O3S
- Average molar mass
- 214.28 g/mol
- Monoisotopic mass
- 214.06636548
Names & identifiers
- Preferred name
- 3,7-Dimethyl-5,6,7,8-tetrahydro-1,2lambda6-benzoxathiine 2,2-dioxide
- IUPAC
- 3,7-dimethyl-5,6,7,8-tetrahydro-1,2λ6-benzoxathiine 2,2-dioxide
Database identifiers
- CAS
63549-11-1- PubChem CID
- 112692
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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