Basic information
- CAS
1092351-87-5- Standard SMILES
S=c1oc2ccccc2n1CCCCBr- InChIKey
FVHNQOQGHFZOEK-UHFFFAOYSA-N- Molecular formula
- C11H12BrNOS
- Average molar mass
- 286.19 g/mol
- Monoisotopic mass
- 284.9823
Names & identifiers
- Preferred name
- 3-(4-Bromobutyl)-2(3H)-benzoxazolethione
- IUPAC
- 3-(4-bromobutyl)-1,3-benzoxazole-2-thione
Names & synonyms
DTXSID8012775711092351-87-53-(4-Bromobutyl)-2(3H)-benzoxazolethione3-(4-Bromobutyl)-1,3-benzoxazole-2(3H)-thione
Database identifiers
- CAS
1092351-87-5- PubChem CID
- 131865699
- DTXSID
DTXSID801277571
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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