AG003PKP

7396-41-0 | Dimethyl 1,3-dithiol-2-thione-4,5-dicarboxylate

AG003PKP

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CAS Number	7396-41-0
Catalog Number	AG003PKP(AGN-PC-0JSP8R)
Chemical Name	Dimethyl 1,3-dithiol-2-thione-4,5-dicarboxylate
IUPAC Name	dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate
InChI	InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
InChI Key	UZKKFHMMXWDIPD-UHFFFAOYSA-N
MDL Number	MFCD00142532
Molecular Formula	C7H6O4S3
Molecular Weight	250.3151
SMILES	S=C1SC(C(OC)=O)=C(C(OC)=O)S1
Synonyms	7396-41-0, Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate, MLS000055712, UZKKFHMMXWDIPD-UHFFFAOYSA-N, Dimethyl 1,3-Dithiole-2-thione-4,5-dicarboxylate, dimethyl 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylate, SMR000060737, 1,3-Dithiole-2-thione-4,5-dicarboxylic Acid Dimethyl Ester, 2-thioxo-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester, AC1LC4WV, Maybridge4_001834, C7H6O4S3, cid_547914, SCHEMBL1654688, CHEMBL1371315, BDBM48938, ZINC56994, DTXSID00338259, CHEBI:108048, HMS1526D08, HMS2472H19, CCG-43180, MFCD00142532, STL323891, AKOS001023175, MCULE-4731248261, NCGC00038947-02, NCGC00177208-01, D2127, 4,5-bis(methylcarboxy)-1,3-dithiole-2-thione, dimethyl 1,3-dithiol-2-thion-4,5-dicarboxylate, Dimethyl 1,3-dithiol-2-thione-4,5-dicarboxylate, I09-3370, SR-01000601863-2, BRD-K17372597-001-01-6, Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate, 98%, 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLICACIDDIMETHYLESTER, 2-thioxo-[1,3]dithiole-4,5-dicarboxylic acid dimethyl ester, 2-sulfanylidene-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester, 4,5-dimethyl 2-sulfanylidene-2H-1,3-dithiole-4,5-dicarboxylate, CID547914,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.943g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.301g/mol
Monoisotopic Mass	249.943g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	135A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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