2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-m-tolyl)-5-ethyl-
Basic information
- CAS
23515-39-1- Standard SMILES
CCN1CSC(=S)N(c2ccc(Br)c(C)c2)C1- InChIKey
WDJQBKRNPYQTQA-UHFFFAOYSA-N- Molecular formula
- C12H15BrN2S2
- Average molar mass
- 331.3 g/mol
- Monoisotopic mass
- 329.986
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-m-tolyl)-5-ethyl-
- IUPAC
- 3-(4-bromo-3-methylphenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
Names & synonyms
23515-39-12H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(4-bromo-m-tolyl)-5-ethyl-Tetrahydro-3-(4-bromo-m-tolyl)-5-ethyl-2H-1,3,5-thiadiazine-2-thioneDTXSID30178100RefChem:267750DTXCID201005913-(4-bromo-3-methylphenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
Database identifiers
- CAS
23515-39-1- PubChem CID
- 211683
- DTXSID
DTXSID30178100
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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