2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,4-dichlorophenoxymethyl)-
Basic information
- CAS
57841-30-2- Standard SMILES
S=C1NCCC(COc2ccc(Cl)c(Cl)c2)O1- InChIKey
OKJLKDPHIFOAJD-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO2S
- Average molar mass
- 292.2 g/mol
- Monoisotopic mass
- 290.9887552
Names & identifiers
- Preferred name
- 2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,4-dichlorophenoxymethyl)-
- IUPAC
- 6-[(3,4-dichlorophenoxy)methyl]-1,3-oxazinane-2-thione
Names & synonyms
BRN 053832857841-30-26-(3,4-Dichlorophenoxymethyl)-3,4,5,6-tetrahydro-2H-1,3-oxazine-2-thione2H-1,3-Oxazine-2-thione, 3,4,5,6-tetrahydro-6-(3,4-dichlorophenoxymethyl)-2H-1,3-Oxazine-2-thione, 6-(3,4-dichlorophenoxymethyl)-3,4,5,6-tetrahydro-RefChem:267825DTXSID109734186-[(3,4-Dichlorophenoxy)methyl]-5,6-dihydro-4H-1,3-oxazine-2-thiol
Database identifiers
- CAS
57841-30-2- PubChem CID
- 3044902
- DTXSID
DTXSID10973418- Nikkaji
- J78.613F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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