CAS 7117-31-9

1-methyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide

Description:

1-Methyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide, with the CAS number 7117-31-9, is a heterocyclic compound characterized by its benzothiazine structure, which includes a sulfur atom and a nitrogen atom within a fused ring system. This compound typically exhibits a pale yellow to white crystalline appearance and is known for its potential biological activity, particularly in medicinal chemistry. It is soluble in organic solvents and may have limited solubility in water, which can influence its bioavailability and pharmacokinetic properties. The presence of the methyl group and the sulfonyl moiety contributes to its chemical reactivity and stability. This compound has been studied for its potential applications in pharmaceuticals, particularly as an antimicrobial or anti-inflammatory agent. Its unique structural features allow for various chemical modifications, which can enhance its therapeutic efficacy. As with many chemical substances, safety data should be consulted to understand its handling and potential hazards in laboratory or industrial settings.

Formula: C₉H₉NO₃S

InChI: InChI=1/C9H9NO3S/c1-10-8-5-3-2-4-7(8)9(11)6-14(10,12)13/h2-5H,6H2,1H3

SMILES: CN1c2ccccc2C(=O)CS1(=O)=O

Synonyms:

• 1H-2,1-Benzothiazin-4(3H)-one, 1-methyl-, 2,2-dioxide

1-Methyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide

CAS: 7117-31-9

1-Methyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide

Formula: C₉H₉NO₃S

Purity: 97% (Typical Value in Batch COA)

Color and Shape: off-white to pale yellow crystalline solid

Molecular weight: 211.24g/mol

Ref: 54-OR9458

2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one

CAS: 7117-31-9

Formula: C₉H₉NO₃S

Color and Shape: Solid

Molecular weight: 211.24

Ref: 10-F017154

1-Methyl-1,2,3,4-tetrahydro-2λ~6~,1-benzothiazine-2,2,4-trione

CAS: 7117-31-9

1-Methyl-1,2,3,4-tetrahydro-2lambda~6~,1-benzothiazine-2,2,4-trione is a heterocyclic compound that contains a benzene ring and a heterocyclic ring. It has an asymmetric carbon atom with two different substituents (a hydrogen and a sulfonyl group). The carbonyl group is bonded to the sulfur atom of the sulfonyl group. The molecule also has two hydrogen bonds in its geometry. This molecule has a dimerized conformation and can be found as a dimerized crystal structure.

Formula: C₉H₉NO₃S

Purity: Min. 95%

Molecular weight: 211.24 g/mol

Ref: 3D-HAA11731