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2-Methylbenzo[b]thiophen-3(2H)-one 1,1-Dioxide

2-Methylbenzo[b]thiophen-3(2H)-one 1,1-Dioxide - CAS 16957-79-2

Catalog:	BB012560
Product Name:	2-Methylbenzo[b]thiophen-3(2H)-one 1,1-Dioxide
CAS:	16957-79-2
Synonyms:	2-methyl-1,1-dioxo-1-benzothiophen-3-one; 2-methyl-1,1-dioxo-1-benzothiophen-3-one

Technical Data

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Computed Properties

IUPAC Name:	2-methyl-1,1-dioxo-1-benzothiophen-3-one
Description:	2-Methylbenzo[b]thiophen-3(2H)-one 1,1-Dioxide (CAS# 16957-79-2 ) is a useful research chemical.
Molecular Weight:	196.22
Molecular Formula:	C9H8O3S
Canonical SMILES:	CC1C(=O)C2=CC=CC=C2S1(=O)=O
InChI:	InChI=1S/C9H8O3S/c1-6-9(10)7-4-2-3-5-8(7)13(6,11)12/h2-6H,1H3
InChI Key:	MQLDRFDZRIIXAS-UHFFFAOYSA-N
LogP:	2.12590

Publication Number	Title	Priority Date
US-2016195532-A1	Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines	20121209
US-2012107530-A1	Printing paper for printing stereoscopic image, stereoscopic image printed matter, and method for providing stereoscopic image	20101028
US-8728976-B2	Printing paper for printing stereoscopic image, stereoscopic image printed matter, and method for providing stereoscopic image	20101028
US-2009246443-A1	Simultaneous two-photon absorption three-dimensional optical recording medium and simultaneous two-photon three-dimensional optical recording method	20080328
US-2009092746-A1	Photorefractive compositions with nanoparticles	20071002

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.01941529
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.01941529
Rotatable Bond Count:	0
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1