2,3-Dihydrothiophene 1,1-Dioxide - CAS 1192-16-1

Catalog:	BB004435
Product Name:	2,3-Dihydrothiophene 1,1-Dioxide
CAS:	1192-16-1
Synonyms:	2,3-dihydrothiophene 1,1-dioxide; 2,3-dihydrothiophene 1,1-dioxide

Technical Data

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Computed Properties

IUPAC Name:	2,3-dihydrothiophene 1,1-dioxide
Description:	2,3-Dihydrothiophene 1,1-Dioxide (CAS# 1192-16-1) is a solvent; used in method of manufacturing lithium-air batteries provided with nitrogen-doped carbon electrodes and lithium-air batteries using thereof.
Molecular Weight:	118.15
Molecular Formula:	C4H6O2S
Canonical SMILES:	C1CS(=O)(=O)C=C1
InChI:	InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1,3H,2,4H2
InChI Key:	DYGJDTCGUUMUBL-UHFFFAOYSA-N
Boiling Point:	306.5 °C at 760 mmHg
Density:	1.333 g/cm³
LogP:	1.39940

Publication Number	Title	Priority Date
US-2016158207-A1	Therapeutic compounds and uses thereof	20141127
WO-2015193673-A1	Novel pharmaceutical formulations and their use in the treatment of periodontal disease	20140618
WO-2015195614-A1	Motorcycle engine lubricant	20140618
WO-2015187088-A1	Mth1 inhibitors for treatment of cancer	20140604
WO-2015187089-A1	Mth1 inhibitors for treatment of inflammatory and autoimmune conditions	20140604

PMID	Publication Date	Title	Journal
21580720	20100324	5'-Amino-1,3-dioxo-2',3'-di-hydro-7'H-spiro-[indane-2,7'-thieno[3,2-b]pyran]-6'-carbonitrile 1',1'-dioxide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Thiophenes

[13196-28-6]
2-Phenyl-1-(thiophen-2-yl)ethanone
[74556-81-3]
5-[(3-Chlorophenoxy)methyl]thiophene-2-carboxylic acid
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[937599-90-1]
Ethyl 2-((4-(thiophen-2-yl)pyrimidin-2-yl)thio)acetate
[350990-31-7]
Ethyl 2-amino-4-(2,5-dimethylphenyl)-5-methylthiophene-3-carboxylate
[325724-66-1]
Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.00885060
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	118.00885060
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1