Basic information
- CAS
93638-55-2- Standard SMILES
O=S1(=O)CCC2CC=CCC21- InChIKey
NTHADLFTOIMHGB-UHFFFAOYSA-N- Molecular formula
- C8H12O2S
- Average molar mass
- 172.25 g/mol
- Monoisotopic mass
- 172.05580079
Names & identifiers
- Preferred name
- 2,3,3a,4,7,7a-Hexahydro-1-benzothiophene 1,1-dioxide
- IUPAC
- 2,3,3a,4,7,7a-hexahydro-1-benzothiophene 1,1-dioxide
Names & synonyms
93638-55-22,3,3a,4,7,7a-hexahydro-1-benzothiophene 1,1-dioxide2,3,3a,4,7,7a-hexahydrobenzothiophene 1,1-dioxide2,3,3a,4,7,7a-hexahydrobenzo[b]thiophene 1,1-dioxide2,3,3A,4,7,7A-HEXAHYDRO-1??-BENZOTHIOPHENE-1,1-DIONEBenzo(c)thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-dioxide2,3,4,7,3a,7a-hexahydrobenzo[b]thiophene-1,1-dioneBenzo[c]thiophene, 1,3,3a,4,7,7a-hexahydro-2,2-dioxideCambridge id 5155807DTXSID80918270HMS1578O12CCG-2267
Show more names
SBB041300STK848465AKOS000269428AKOS016039526SDCCGMLS-0064700.P001ST098567VS-08869EU-0046781
Database identifiers
- CAS
93638-55-2- PubChem CID
- 145271
- DTXSID
DTXSID80918270
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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