3,4-Epoxytetrahydrothiophene-1,1-dioxide - CAS 4509-11-9

Name: 3,4-Epoxytetrahydrothiophene-1,1-dioxide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025760
Product Name:	3,4-Epoxytetrahydrothiophene-1,1-dioxide
CAS:	4509-11-9
Synonyms:	6-oxa-3lambda6-thiabicyclo[3.1.0]hexane 3,3-dioxide

Technical Data

IUPAC Name:	6-oxa-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
Description:	Used to prepare sulfolene derivatives and acyclic polyenes used in natural product synthesis. For a synthesis, see Tetrahedron Lett.
Molecular Weight:	134.15
Molecular Formula:	C4H6O3S
Canonical SMILES:	C1C2C(O2)CS1(=O)=O
InChI:	InChI=1S/C4H6O3S/c5-8(6)1-3-4(2-8)7-3/h3-4H,1-2H2
InChI Key:	SZAIAWVGWTXVMB-UHFFFAOYSA-N
Boiling Point:	379.2 °C at 760 mmHg
Melting Point:	145-150 °C (lit.)
Flash Point:	Not applicable
Purity:	97 %
Density:	1.576 g/cm³
Appearance:	White to brown powder
LogP:	0.26300

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112300842-A	Demulsifier for fuel containing quaternary ammonium salt	20190723
US-2020287240-A1	Carbon Fiber Battery Electrodes With Ionic Liquid and Gel Electrolytes	20190304
CA-3103304-A1	Novel compounds and pharmaceutical compositions thereof for the treatment of diseases	20180615
TW-201936593-A	Dielectric material	20180122
WO-2019141833-A1	Dielectric materials	20180122

PMID	Publication Date	Title	Journal
16032362	20050807	The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation	Organic & biomolecular chemistry
14765234	20040221	Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives	Chemical communications (Cambridge, England)

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.00376522
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	134.00376522
Rotatable Bond Count:	0
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9