Basic information
- CAS
81963-87-3- Standard SMILES
Oc1c(Br)cc(Br)cc1-c1nn(CN2CCCCC2)c(=S)o1- InChIKey
DSOCHZJNXKUWEH-UHFFFAOYSA-N- Molecular formula
- C14H15Br2N3O2S
- Average molar mass
- 449.2 g/mol
- Monoisotopic mass
- 446.92517
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(1-piperidinylmethyl)-
- IUPAC
- 5-(3,5-dibromo-2-hydroxyphenyl)-3-(piperidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione
- English name
- 1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(1-pi peridinylmethyl)-
- Molecular weight
- 0
Names & synonyms
81963-87-31,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(1-piperidinylmethyl)-RefChem:1052524BRN 45517715-(3,5-Dibromo-2-hydroxyphenyl)-3-(1-piperidinylmethyl)-1,3,4-oxadiazole-2(3H)-thione1,3,4-Oxadiazole-2(3H)-thione, 5-(3,5-dibromo-2-hydroxyphenyl)-3-(1-pi peridinylmethyl)-
Database identifiers
- CAS
81963-87-3- PubChem CID
- 54802
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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