1H-Benzimidazole, 2-butoxy-1-(3-thietanyl)-
Basic information
- CAS
159326-44-0- Standard SMILES
CCCCOc1nc2ccccc2n1C1CSC1- InChIKey
JGIWQPRRDJZRSH-UHFFFAOYSA-N- Molecular formula
- C14H18N2OS
- Average molar mass
- 262.37 g/mol
- Monoisotopic mass
- 262.11398438
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 2-butoxy-1-(3-thietanyl)-
- IUPAC
- 2-butoxy-1-(thietan-3-yl)benzimidazole
Names & synonyms
1H-Benzimidazole, 2-butoxy-1-(3-thietanyl)-2-Butoxy-1-(3-thietanyl)-1H-benzimidazole2-(n-Butyloxy)-1-(3-thietanyl)benzimidazole159326-44-0DTXSID80166638RefChem:237519DTXCID20891292-Butoxy-1-(thietan-3-yl)-1H-1,3-benzimidazole
Database identifiers
- CAS
159326-44-0- PubChem CID
- 3074550
- DTXSID
DTXSID80166638- Nikkaji
- J545.125F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 273
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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