Cyclohexene sulfide - CAS 286-28-2

Catalog:	BB019896
Product Name:	Cyclohexene sulfide
CAS:	286-28-2
Synonyms:	7-thiabicyclo[4.1.0]heptane

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Computed Properties

IUPAC Name:	7-thiabicyclo[4.1.0]heptane
Description:	Cyclohexene sulfide (CAS# 286-28-2) is a useful research chemical.
Molecular Weight:	114.21
Molecular Formula:	C6H10S
Canonical SMILES:	C1CCC2C(C1)S2
InChI:	InChI=1S/C6H10S/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2
InChI Key:	PQWJNIJNYRPOAA-UHFFFAOYSA-N
Boiling Point:	165.8 °C at 760 mmHg
Density:	1.09 g/cm³
MDL:	MFCD00005163
LogP:	2.04440

Publication Number	Title	Priority Date
WO-2020011197-A1	Cross-linked nanoporous saccharide-based material and methods for fabrication thereof	20180711
CN-112469775-A	Cross-linked nanoporous carbohydrate-based materials and methods of making the same	20180711
US-2021122875-A1	Cross-linked Nanoporous Saccharide-based Material and Methods for Fabrication Thereof	20180711
JP-2019173052-A	Composition for electroless plating, cured product for electroless plating, method for producing cured product for electroless plating, wiring board, and method for producing wiring board	20180327
JP-6936632-B2	Surface modified substrate	20170623

PMID	Publication Date	Title	Journal
19826721	20091107	Investigations into the coupling of cyclohexene oxide and carbon disulfide catalyzed by (salen)CrCl. Selectivity for the production of copolymers vs. cyclic thiocarbonates	Dalton transactions (Cambridge, England : 2003)
17569091	20070702	Oxidative reactions of the Mo(IV) dialkyl complex [{(3-CF3C6H4NCH2CH2)2NMe}Mo(CH2SiMe3)2]	Chemistry, an Asian journal
16953507	20061115	Terminally coordinated AsS and PS ligands	Chemistry (Weinheim an der Bergstrasse, Germany)
16813398	20060710	Kinetics, mechanism, and computational studies of rhenium-catalyzed desulfurization reactions of thiiranes (thioepoxides)	Inorganic chemistry

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	70.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.05032149
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	114.05032149
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.3
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2