Ethylene trithiocarbonate - CAS 822-38-8

Catalog:	BB036777
Product Name:	Ethylene trithiocarbonate
CAS:	822-38-8
Synonyms:	1,3-dithiolane-2-thione

Technical Data

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Literatures

Computed Properties

IUPAC Name:	1,3-dithiolane-2-thione
Description:	Ethylene trithiocarbonate (CAS# 822-38-8 ) is a useful research chemical.
Molecular Weight:	136.26
Molecular Formula:	C3H4S3
Canonical SMILES:	C1CSC(=S)S1
InChI:	InChI=1S/C3H4S3/c4-3-5-1-2-6-3/h1-2H2
InChI Key:	XCWPBWWTGHQKDR-UHFFFAOYSA-N
Boiling Point:	307 °C at 760 mmHg
Purity:	97+ %
Density:	1.47 g/cm³
Appearance:	Yellow low melting solid
LogP:	1.75130

Publication Number	Title	Priority Date
US-2021277307-A1	Blue-emitting nanocrystals with cubic shape and group iv metal fluoride passivation	20200303
WO-2021178491-A1	Blue-emitting nanocrystals with cubic shape and group iv metal fluoride passivation	20200303
WO-2021141945-A1	Rohs compliant mixed quantum dot films	20200106
US-2021123098-A1	Methods for cellularly addressable nucleic acid sequencing	20190923
WO-2021061841-A1	Methods for cellularly addressable nucleic acid sequencing	20190923

PMID	Publication Date	Title	Journal
20540520	20100721	Complexes of Gilman reagents with C-S and C-N double bonds: sigma or pi bonding?	Journal of the American Chemical Society
18389065	20070101	The nature of the chemical bond in linear three-body systems: from i3- to mixed chalcogen/halogen and trichalcogen moieties	Bioinorganic chemistry and applications
16440386	20060403	Fluorine segregation in crystalline materials: structural control and solid-state [2+2] cycloaddition in CF(3)-substituted tetrathiafulvalene derivatives	Chemistry (Weinheim an der Bergstrasse, Germany)
17497008	20060101	Reactions Between Chalcogen Donors and Dihalogens/Interalogens: Typology of Products and Their Characterization by FT-Raman Spectroscopy	Bioinorganic chemistry and applications
12539971	20021201	The 13C chemical shift tensor principal values and orientations in dialkyl carbonates and trithiocarbonates	Solid state nuclear magnetic resonance

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Complexity:	60.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.94751365
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	135.94751365
Rotatable Bond Count:	0
Topological Polar Surface Area:	82.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2