Basic information
- CAS
87527-53-5- Standard SMILES
Nc1nnc(CCCOc2ccc(Br)cc2)s1- InChIKey
WGOTWJMBNGUPLB-UHFFFAOYSA-N- Molecular formula
- C11H12BrN3OS
- Average molar mass
- 314.2 g/mol
- Monoisotopic mass
- 312.98845
Names & identifiers
- Preferred name
- 5-[3-(4-Bromophenoxy)propyl]-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-[3-(4-bromophenoxy)propyl]-1,3,4-thiadiazol-2-amine
Names & synonyms
87527-53-55-[3-(4-Bromophenoxy)propyl]-1,3,4-thiadiazol-2-amineDTXSID80533780
Database identifiers
- CAS
87527-53-5- PubChem CID
- 13272829
- DTXSID
DTXSID80533780
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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