1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone
Basic information
- CAS
6196-97-0- Standard SMILES
Cc1nc(SCC(=O)c2ccc(Br)cc2)n[nH]1- InChIKey
UDDXBSNUZDFMOF-UHFFFAOYSA-N- Molecular formula
- C11H10BrN3OS
- Average molar mass
- 312.19 g/mol
- Monoisotopic mass
- 310.9728
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-YL)thio]ethanone
- IUPAC
- 1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Names & synonyms
37664-35-01-(4-BROMOPHENYL)-2-[(5-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO]ETHANONE1-(4-Bromophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)ethanone1-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoneMFCD011133526196-97-01-(4-bromophenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoneCambridge id 6196970DTXSID40977500STK118895AKOS000713817AKOS003261835
Show more names
BS-37691ST061191ST50301680AB00104086-01AG-205/10461028F3148721-(4-bromophenyl)-2-(3-methyl(1H-1,2,4-triazol-5-ylthio))ethan-1-one1-(4-Bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Database identifiers
- CAS
6196-97-0- PubChem CID
- 830886
- DTXSID
DTXSID40977500
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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