5-(4-Bromophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
Basic information
- CAS
64273-24-1- Standard SMILES
O=C1NN=C(c2ccc(Br)cc2)CS1- InChIKey
BVFAFSOESMNPSL-UHFFFAOYSA-N- Molecular formula
- C9H7BrN2OS
- Average molar mass
- 271.14 g/mol
- Monoisotopic mass
- 269.94625
Names & identifiers
- Preferred name
- 5-(4-Bromophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
- IUPAC
- 5-(4-bromophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-one
Names & synonyms
NSC29824164273-24-15-(4-bromophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-oneDTXSID403159235-(4-Bromophenyl)-3,6-dihydro-2H-1,3,4-thiadiazin-2-oneNSC-298241
Database identifiers
- CAS
64273-24-1- PubChem CID
- 326575
- DTXSID
DTXSID40315923
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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