Basic information
- CAS
888731-54-2- Standard SMILES
O=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)N1CCS(=O)(=O)c2ccccc21- InChIKey
OJKRQRPNHPQSNL-UHFFFAOYSA-N- Molecular formula
- C22H17Cl2NO4S
- Average molar mass
- 462.3 g/mol
- Monoisotopic mass
- 461.0255346
Names & identifiers
- Preferred name
- (4-Benzyloxy-3,5-dichlorophenyl)-(1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[1,4]thiazin-4-yl)-methanone
- IUPAC
- (3,5-dichloro-4-phenylmethoxyphenyl)-(1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazin-4-yl)methanone
- English name
- (3,5-Dichloro-4-hydroxyphenyl)(2,3-dihydro-4H-1,4-benzothiazin-4-yl)methanone
- Molecular formula
- C22H17Cl2NO4S
- Molecular weight
- 462.35
Names & synonyms
SCHEMBL4898984OJKRQRPNHPQSNL-UHFFFAOYSA-N(4-Benzyloxy-3,5-dichlorophenyl)-(1,1-dioxo-2,3-dihydro-1H-1lambda6-benzo[1,4]thiazin-4-yl)-methanone(3,5-Dichloro-4-hydroxyphenyl)(2,3-dihydro-4H-1,4-benzothiazin-4-yl)methanone
Database identifiers
- CAS
888731-54-2- PubChem CID
- 69233801
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 694
Physicochemical properties
- Boiling point
- 695.4 · 695.4±55.0 °C(Predicted)
- Density
- 1.447 · 1.447±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- -2.84 · -2.84±0.20(Predicted)
Chemistry & industry
Suppliers5 total
河南伊诺凯新材料有限公司13290191024 13290191024 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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