Basic information
- CAS
21784-54-3- Standard SMILES
CN1C(=O)c2ccccc2CS1(=O)=O- InChIKey
RAQMXXMLEHZQQE-UHFFFAOYSA-N- Molecular formula
- C9H9NO3S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.03031432
Names & identifiers
- Preferred name
- 1H-2,3-Benzothiazin-4(3H)-one, 3-methyl-, 2,2-dioxide
- IUPAC
- 3-methyl-2,2-dioxo-1H-2λ6,3-benzothiazin-4-one
- English name
- 8-methyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.4.0]deca-1,3,5-trien-7- one
- Molecular formula
- C9H9NO3S
- Molecular weight
- 211.24
Names & synonyms
BRN 064578921784-54-31H-2,3-Benzothiazin-4(3H)-one, 3-methyl-, 2,2-dioxideDTXSID301761863-Methyl-1H-2,3-benzothiazin-4(3H)-one 2,2-dioxideRefChem:237261DTXCID6098677AKOS0081584633-Methyl-2lambda~6~,3-benzothiazine-2,2,4(1H,3H)-trione8-methyl-9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.4.0]deca-1,3,5-trien-7- one
Database identifiers
- CAS
21784-54-3- PubChem CID
- 89043
- DTXSID
DTXSID30176186
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Boiling point
- 382.7 · 382.7±45.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- pka
- -12.67 · -12.67±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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