1,3-Dihydro-2-benzothiophene 2-oxide
Basic information
- CAS
3533-72-0- Standard SMILES
O=S1Cc2ccccc2C1- InChIKey
YYVPARHZEAEOHF-UHFFFAOYSA-N- Molecular formula
- C8H8OS
- Average molar mass
- 152.22 g/mol
- Monoisotopic mass
- 152.02958605
Names & identifiers
- Preferred name
- 1,3-Dihydro-2-benzothiophene 2-oxide
- IUPAC
- 1,3-dihydro-2-benzothiophene 2-oxide
- English name
- 8$l^3533-72-0-thiabicyclo[4.3.0]nona-1,3,5-triene 8-oxide
- Molecular formula
- C8H8OS
- Molecular weight
- 152.21352
Names & synonyms
1,3-Dihydro-2-benzothiophene 2-oxide3533-72-0DTXSID10302188RefChem:218582DTXCID502533221,3-Dihydrobenzo[c]thiophene 2-oxideNSC149594starbld0014607SCHEMBL255960SCHEMBL23849977SCHEMBL23850217SCHEMBL29255977
Show more names
1,3-dihydro-2-benzothiophene2-oxidesyn- and anti-cis-8-thiabicyclonon-3-ene 8-oxide8$l^3533-72-0-thiabicyclo[4.3.0]nona-1,3,5-triene 8-oxide
YYVPARHZEAEOHF-UHFFFAOYSA-NNSC-1495941,3-Dihydro-2-benzothiophene 2-oxide #Benzo[c]thiophene, 1,3-dihydro-, 2-oxide1,3-Dihydro-2H-2lambda~4~-benzothiophen-2-one
Database identifiers
- CAS
3533-72-0- PubChem CID
- 288398
- DTXSID
DTXSID10302188- Nikkaji
- J1.125.598A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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