Basic information
- CAS
4137-02-4- Standard SMILES
O=C1CCSC(=S)N1c1ccc(Br)cc1- InChIKey
MQGNHIDBFJUWTC-UHFFFAOYSA-N- Molecular formula
- C10H8BrNOS2
- Average molar mass
- 302.2 g/mol
- Monoisotopic mass
- 300.92307
Names & identifiers
- Preferred name
- 4H-1,3-Thiazin-4-one, tetrahydro-3-(p-bromophenyl)-2-thioxo-
- IUPAC
- 3-(4-bromophenyl)-2-sulfanylidene-1,3-thiazinan-4-one
Names & synonyms
BRN 07941334137-02-44H-1,3-Thiazin-4-one, tetrahydro-3-(p-bromophenyl)-2-thioxo-DTXSID801943153-(p-Bromophenyl)-2-thioxotetrahydro-4H-1, 3-thiazin-4-oneRefChem:297083DTXCID901168063-(4-bromophenyl)-2-sulfanylidene-1,3-thiazinan-4-one
Database identifiers
- CAS
4137-02-4- PubChem CID
- 199404
- DTXSID
DTXSID80194315
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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