Chemical Properties of 1,2-benzisothiazol-3(2H)-one

InChI

InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

InChI Key

DMSMPAJRVJJAGA-UHFFFAOYSA-N

Formula

C7H5NOS

SMILES

O=c1[nH]sc2ccccc12

Molecular Weight¹

151.19

• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	[20.87; 112.40]	kJ/mol
ΔfusH°	20.87	kJ/mol	Combine...
ΔfusH°	112.40	kJ/mol	Combine...
log10WS	-1.67		Crippen Calculated Property
logPoct/wat	1.108		Crippen Calculated Property
McVol	102.770	ml/mol	McGowan Calculated Property
Tfus	428.79	K	Combine...

Similar Compounds

Find more compounds similar to 1,2-benzisothiazol-3(2H)-one.

Sources

• Crippen Method
• Crippen Method
• Combined experimental and computational study on the energetics of 1,2-benzisothiazol-3(2H)-one and 1,4-benzothiazin-3(2H, 4H)-one
• McGowan Method

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.