AG003PS7

623-80-3 | Dithiocarbonic Acid S,S-Diethyl Ester

AG003PS7

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CAS Number	623-80-3
Catalog Number	AG003PS7(AGN-PC-0JKAGT)
Chemical Name	Dithiocarbonic Acid S,S-Diethyl Ester
IUPAC Name	bis(ethylsulfanyl)methanone
InChI	InChI=1S/C5H10OS2/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3
InChI Key	MBUCFVKJCBBWRI-UHFFFAOYSA-N
MDL Number	MFCD00144162
Molecular Formula	C5H10OS2
Molecular Weight	150.2623
SMILES	CCSC(=O)SCC
Synonyms	623-80-3, S,S-Diethyl dithiocarbonate, S,S'-Diethyl Dithiocarbonate, S,S-DIETHYL CARBAMODITHIOATE, Dithiocarbonic Acid S,S'-Diethyl Ester, DITHIOCARBONIC ACID S,S-DIETHYL ESTER, Dithiocarbonic acid S S-diethyl ester, S,S-DIETHYL CARBONODITHIOATE, Carbonodithioic acid, S,S-diethyl ester, Carbonic acid, dithio-, S,S-diethyl ester, bis(ethylsulfanyl)methanone, Xanthogenic acid S,S-diethyl, ACMC-209n31, AC1L1Z26, SCHEMBL3065037, CTK5B4989, DTXSID50211366, MBUCFVKJCBBWRI-UHFFFAOYSA-N, ZINC392373, ANW-34187, FCH918202, MFCD00144162, AKOS006230608, Carbonodithioic acid,S,S-diethyl ester, MCULE-7783165279, ZB012202, TL8004134, TR-021452, D2078, FT-0715688, C-56496, I14-102286, CID12196, DITHIOCARBONICACIDS,S'-DIETHYLESTER,

Complexity	64.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.017g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	150.254g/mol
Monoisotopic Mass	150.017g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227
Packing Group
Precautionary statements	P210-P280-P370+P378-P403+P235-P501
UN Code

Certificate of Analysis

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