Basic information
- CAS
92688-79-4- Standard SMILES
O=S1(=O)CC2CC=CCC2C1- InChIKey
VSEMXKYLUQVDRJ-UHFFFAOYSA-N- Molecular formula
- C8H12O2S
- Average molar mass
- 172.25 g/mol
- Monoisotopic mass
- 172.05580079
Names & identifiers
- Preferred name
- 1,3,3a,4,7,7a-Hexahydro-2-benzothiophene 2,2-dioxide
- IUPAC
- 1,3,3a,4,7,7a-hexahydro-2-benzothiophene 2,2-dioxide
- English name
- 8$l^{6}-thiabicyclo[4.3.0]non-3-ene 8,8-dioxide
- Molecular formula
- C8H12O2S
- Molecular weight
- 172.25
Names & synonyms
92688-79-41,3,3a,4,7,7a-hexahydro-2-benzothiophene 2,2-dioxideBenzo(b)thiophene, 2,3,3a,4,7,7a-hexahydro-1,1-dioxide8-THIABICYCLO[4.3.0]NON-3-ENE 8,8-DIOXIDE1,3,3A,4,7,7a-hexahydrobenzo[c]thiophene 2,2-dioxideBenzo[b]thiophene, 2,3,3a,4,7,7a-hexahydro-1,1-dioxideDTXSID309190101,3,3a,4,7,7a-Hexahydro-2H-2-benzothiophene-2,2-dione1,3,3a,4,7,7a-Hexahydro-2H-2lambda~6~-benzothiophene-2,2-dione8$l^{6}-thiabicyclo[4.3.0]non-3-ene 8,8-dioxide2,3,3A,4,7,7A-HEXAHYDRO-1-BENZOTHIOPHENE 1,1-DIOXIDEBenzo[b]thiophene, 2,3,3a,4,7,7a-hexahydro-, 1,1-dioxide
Database identifiers
- CAS
92688-79-4- PubChem CID
- 145258
- DTXSID
DTXSID30919010
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 347 · 347.0±31.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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