4,5-Dihydrothiepin 1,1-dioxide
Basic information
- CAS
29520-87-4- Standard SMILES
O=S1(=O)C=CCCC=C1- InChIKey
FAQFAFHVYALEBP-UHFFFAOYSA-N- Molecular formula
- C6H8O2S
- Average molar mass
- 144.19 g/mol
- Monoisotopic mass
- 144.02450067
Names & identifiers
- Preferred name
- 4,5-Dihydrothiepin 1,1-dioxide
- IUPAC
- 4,5-dihydrothiepine 1,1-dioxide
- English name
- 4,5-Dihydrothiepin 1,1-dioxide
- Molecular weight
- 0
Names & synonyms
4,5-Dihydrothiepin 1,1-dioxide29520-87-4NSC-1746044,5-dihydrothiepine 1,1-dioxideNSC174604Thiepin, 4,5-dihydro-, 1,1-dioxideGF4WSD56R2DTXSID90306200Thiepin,5-dihydro-, 1,1-dioxideAKOS0243294264,5-Dihydro-1H-1lambda~6~-thiepine-1,1-dione
Database identifiers
- CAS
29520-87-4- PubChem CID
- 300263
- DTXSID
DTXSID90306200- UNII
- GF4WSD56R2
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 208
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Related reactions
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Compound notes
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