Isopropyl disulfide - CAS 4253-89-8

Catalog:	BB025157
Product Name:	Isopropyl disulfide
CAS:	4253-89-8
Synonyms:	2-(propan-2-yldisulfanyl)propane

Technical Data

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Computed Properties

IUPAC Name:	2-(propan-2-yldisulfanyl)propane
Description:	Isopropyl disulfide (CAS# 4253-89-8) is a useful research chemical.
Molecular Weight:	150.31
Molecular Formula:	C6H14S2
Canonical SMILES:	CC(C)SSC(C)C
InChI:	InChI=1S/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3
InChI Key:	LZAZXBXPKRULLB-UHFFFAOYSA-N
Boiling Point:	175-176 °C
Melting Point:	-69 °C
Purity:	95 %
Density:	0.943 g/cm³
Appearance:	Colorless to light yellow liquid
Storage:	Flammables area
LogP:	3.18460

Publication Number	Title	Priority Date
WO-2021111139-A1	Method	20191204
WO-2021111125-A1	Method of characterising a target polypeptide using a nanopore	20191202
WO-2021099801-A1	Method for double strand sequencing	20191122
WO-2021038068-A1	Alpha-d-galactopyranoside derivatives	20190829
US-2021060536-A1	Molybdenum based catalyst supported on titania-modified zeolite	20190828

PMID	Publication Date	Title	Journal
23094717	20121102	Rh-catalyzed addition of arylboroxines to cyclic N-(isopropanesulfinyl)ketimines	The Journal of organic chemistry
19700163	20090925	Headspace solid-phase microextraction for the determination of volatile organic sulphur and selenium compounds in beers, wines and spirits using gas chromatography and atomic emission detection	Journal of chromatography. A
16280039	20050101	Clioquinol and pyrrolidine dithiocarbamate complex with copper to form proteasome inhibitors and apoptosis inducers in human breast cancer cells	Breast cancer research : BCR

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[21124-33-4]
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Complexity:	42.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.05369279
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.05369279
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5