Sodium ethanethiolate - CAS 811-51-8

Catalog:	BB036615
Product Name:	Sodium ethanethiolate
CAS:	811-51-8
Synonyms:	sodium;ethanethiolate

Technical Data

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Computed Properties

IUPAC Name:	sodium;ethanethiolate
Description:	Sodium ethanethiolate (CAS# 811-51-8) is a catalytic oxidation agent used to separate reaction products under high-gravity field.
Molecular Weight:	84.12
Molecular Formula:	C2H5NaS
Canonical SMILES:	CC[S-].[Na+]
InChI:	InChI=1S/C2H6S.Na/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1
InChI Key:	QJDUDPQVDAASMV-UHFFFAOYSA-M
Boiling Point:	35.1 ℃
Melting Point:	-147.8 ℃
Purity:	95 %
Appearance:	White to tan solid
MDL:	MFCD00066318
LogP:	1.20380

Publication Number	Title	Priority Date
CN-112939757-A	Preparation method of abietane diterpene compound	20210224
WO-2021209265-A1	Tricyclic pesticidal compounds	20200414
WO-2021204577-A1	Imidazo-pyrimidone compounds as pesticides	20200406
WO-2021203025-A1	1 h-pyrazolo[4,3-g]isoquinoline and 1 h-pyrazolo[4,3-g]quinoline derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd)	20200403
WO-2021175959-A1	Process for the preparation of 5-chloro-3-alkylsulfanyl-pyridine-2-carboxylic acid amides and carboxylates	20200304

PMID	Publication Date	Title	Journal
15864505	20050601	Cooperativity and intermediates in the equilibrium reactions of Fe(II,III) with ethanethiolate in N-methylformamide solution	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
11681702	20010901	Determination of ligand binding constants for the iron-molybdenum cofactor of nitrogenase: monomers, multimers, and cooperative behavior	Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	84.00096561
Formal Charge:	0
Heavy Atom Count:	4
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	84.00096561
Rotatable Bond Count:	0
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0