4-[(2-Chloro-4-fluorobenzyl)oxy]-1lambda~6~,4-thiazinane-1,1-dione
Basic information
- CAS
477889-61-5- Standard SMILES
O=S1(=O)CCN(OCc2ccc(F)cc2Cl)CC1- InChIKey
GSVXVOJOSUCXHP-UHFFFAOYSA-N- Molecular formula
- C11H13ClFNO3S
- Average molar mass
- 293.74 g/mol
- Monoisotopic mass
- 293.0288703
Names & identifiers
- Preferred name
- 4-[(2-Chloro-4-fluorobenzyl)oxy]-1lambda~6~,4-thiazinane-1,1-dione
- IUPAC
- 4-[(2-chloro-4-fluorophenyl)methoxy]-1,4-thiazinane 1,1-dioxide
- English name
- 4-[(2-Chloro-4-fluorobenzyl)oxy]-1lambda6,4-thiazinane-1,1-dione
- Molecular formula
- C11H13ClFNO3S
- Molecular weight
- 293.74
Names & synonyms
477889-61-54-[(2-chloro-4-fluorobenzyl)oxy]-1lambda~6~,4-thiazinane-1,1-dione4-[(2-chloro-4-fluorophenyl)methoxy]-1,4-thiazinane 1,1-dioxide4-((2-Chloro-4-fluorobenzyl)oxy)thiomorpholine 1,1-dioxide4-[(2-Chloro-4-fluorobenzyl)oxy]-1lambda(6),4-thiazinane-1,1-dione4-[(2-chloro-4-fluorophenyl)methoxy]-1lambda6-thiomorpholine-1,1-dione4-[(2-Chloro-4-fluorobenzyl)oxy]thiomorpholine 1,1-dioxideC11H13ClFNO3SOprea1_831085MLS000721192CHEMBL1363223DTXSID501333144
Show more names
4-[(2-Chloro-4-fluorobenzyl)oxy]-1lambda6,4-thiazinane-1,1-dioneThiomorpholine, 4-[(2-chloro-4-fluorophenyl)methoxy]-, 1,1-dioxide
HMS2688I12MFCD02102594AKOS005086341SMR0003356122R-06274-[(2-chloro-4-fluorophenyl)methoxy]-1|E?-thiomorpholine-1,1-dione4-[(2-Chloro-4-fluorophenyl)methoxy]-1lambda~6~-thiomorpholine-1,1-dione
Database identifiers
- CAS
477889-61-5- PubChem CID
- 1472345
- DTXSID
DTXSID501333144- ChEMBL
CHEMBL1363223
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
Solubility43.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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