Basic information
- CAS
114676-16-3- Standard SMILES
CN1C(=O)CCS(=O)(=O)C1c1ccc(Cl)c(Cl)c1- InChIKey
FTBWWORDOHNJDB-UHFFFAOYSA-N- Molecular formula
- C11H11Cl2NO3S
- Average molar mass
- 308.2 g/mol
- Monoisotopic mass
- 306.9836698
Names & identifiers
- Preferred name
- Dichlormezanone
- IUPAC
- 2-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
- English name
- Dichlormezanone
- Molecular formula
- C11H11Cl2NO3S
- Molecular weight
- 308.184
Names & synonyms
DichlormezanoneDichlormethazanoneDiclormezanona5571-97-1DichlormezanonumTO4OC41XVIWIN-12267NSC-1691094H-1,3-Thiazin-4-one, 2-(3,4-dichlorophenyl)tetrahydro-3-methyl-,1,1-dioxideRefChem:1083410Dichlormezanone [INN]WIN 12267
Show more names
2-(3,4-dichlorophenyl)-1,1-diketo-3-methyl-1,3-thiazinan-4-one
Dichlormezanone, (+)-Dichlormezanone, (-)-6FH2WO0FVYNSC 1691092-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-oneMLS0031067072P2E3M771B2-(3,4-Dichlorophenyl)tetrahydro-3-methyl-4H-1,3-thiazin-4-one 1,1-dioxide
Database identifiers
- CAS
114676-16-3、114676-27-6、114676-30-1、5571-97-1- PubChem CID
- 71209
- DTXSID
DTXSID50863561- ChEMBL
CHEMBL2106150- UNII
- 2P2E3M771B、6FH2WO0FVY、TO4OC41XVI
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Melting point
- 124.3 °C · 124.3°C
- Density
- 1.3199 · 1.3199 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- FDA UNII
- 4 OC41XVI · TO4OC41XVI
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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