1H-Benzimidazole, 2-chloro-1-(3-thietanyl)-, S,S-dioxide
Basic information
- CAS
159326-43-9- Standard SMILES
O=S1(=O)CC(n2c(Cl)nc3ccccc32)C1- InChIKey
ZYXJYPRAZGLUNP-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O2S
- Average molar mass
- 256.71 g/mol
- Monoisotopic mass
- 256.0073264
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-chloro-1-(3-thietanyl)-, S,S-dioxide
- IUPAC
- 3-(2-chlorobenzimidazol-1-yl)thietane 1,1-dioxide
Names & synonyms
1H-Benzimidazole, 2-chloro-1-(3-thietanyl)-, S,S-dioxide2-Chloro-1-(3-thietanyl)-1H-benzimidazole S,S-dioxide159326-43-92-Chloro-1-(3-(1,1-dioxythietanyl))benzimidazoleDTXSID20166637RefChem:237522DTXCID70891282-chloro-1-(1,1-dioxidothietan-3-yl)-1h-benzimidazole3-(2-Chloro-1H-1,3-benzimidazol-1-yl)-1lambda~6~-thietane-1,1-dione
Database identifiers
- CAS
159326-43-9- PubChem CID
- 3074549
- DTXSID
DTXSID20166637
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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