Chemical Properties of 1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide (CAS 15448-99-4)

InChI

InChI=1S/C8H7NO3S/c1-9-8(10)6-4-2-3-5-7(6)13(9,11)12/h2-5H,1H3

InChI Key

DDIIAJRLFATEEE-UHFFFAOYSA-N

Formula

C8H7NO3S

SMILES

CN1C(=O)c2ccccc2S1(=O)=O

Molecular Weight¹

197.21

CAS

15448-99-4

Other Names

• 1,2-Benzisothiazolin-3-one, 2-methyl-, 1,1-dioxide
• N-Methylsaccharin
• 2-Methyl-1,2-benzisothiazole-3(2H)-one-1,1-dioxide
• 2-Methyl-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
• Saccharin methylated
• NSC 39120
• Saccharin methylated (major component)

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.36		Crippen Calculated Property
logPoct/wat	0.461		Crippen Calculated Property
McVol	128.600	ml/mol	McGowan Calculated Property
Inp	[1655.00; 1674.00]
Inp	1655.00		NIST
Inp	1674.00		NIST
Inp	1655.00		NIST
Inp	1674.00		NIST

Similar Compounds

Find more compounds similar to 1,2-Benzisothiazol-3(2H)-one, 2-methyl-, 1,1-dioxide.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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