AG005X9R

6953-60-2 | Ethanethioic acid,S-(tetrahydro-2,5-dioxo-3-furanyl) ester

AG005X9R

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CAS Number	6953-60-2
Catalog Number	AG005X9R(AGN-PC-01Z8KZ)
Chemical Name	Ethanethioic acid,S-(tetrahydro-2,5-dioxo-3-furanyl) ester
EC Number	230-135-2
IUPAC Name	S-(2,5-dioxooxolan-3-yl) ethanethioate
InChI	InChI=1S/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3
InChI Key	AHTFMWCHTGEJHA-UHFFFAOYSA-N
MDL Number	MFCD00005526
Molecular Formula	C6H6O4S
Molecular Weight	174.1744
NSC Number	57456
SMILES	CC(SC(C1)C(OC1=O)=O)=O
Synonyms	(acetylthio)succinic anhydride, S-acetylmercaptosuccinic anhydride, SAMSA, 6953-60-2, 2-(Acetylthio)succinic anhydride, S-Acetylmercaptosuccinic anhydride, Acetylthiosuccinic anhydride, S-Acetylmercaptosuccinic acid anhydride, Ethanethioic acid, S-(tetrahydro-2,5-dioxo-3-furanyl) ester, Succinic anhydride, mercapto-, acetate, Ethanethioic acid,S-(tetrahydro-2,5-dioxo-3-furanyl) ester, AHTFMWCHTGEJHA-UHFFFAOYSA-N, NSC57456, S-(2,5-dioxooxolan-3-yl) ethanethioate, s-acetylmercaptosuccinic anhydride,2-(acetylthio)succinic anhydride,mercaptosuccinic acid anhydride, 3-acetylthio-3,4-dihydrofuran-2,5-dione, (Acetylthio)succinic anhydride, EINECS 230-135-2, NSC 57456, AC1L3ZIP, Succinic anhydride, acetate, AC1Q68SQ, SCHEMBL94575, AHTFMWCHTGEJHA-UHFFFAOYSA-, CTK5D0340, Ethanethioic acid, S-(dihydro-2,5-dioxo-3-furanyl) ester, 4853AH, NSC-57456, SBB057256, 3-(acetylsulfanyl)oxolane-2,5-dione, AKOS016013110, FCH4014002, MCULE-5304574969, VZ23241, 2-(Acetylthio)succinic anhydride, SAMSA, S-Acetylmercaptosuccinic anhydride, 96%, S-ACETYLMERCAPTO-SUCCINIC ANHYDRIDE, DB-019486, Ethanethioic acid,5-dioxo-3-furanyl) ester, TR-023130, FT-0608719, ST50410372, S-2,5-dioxotetrahydrofuran-3-yl ethanethioate, S-(2,5-Dioxotetrahydrofuran-3-yl) ethanethioate, S-(2,5-Dioxotetrahydro-3-furanyl) ethanethioate #, Ethanethioic acid, S-(dihydro-2,5-dioxo-3-furanyl)ester, Ethanethioic acid, S-(dihydro-2,5-dioxo-3-furanyl) ester (9CI), InChI=1/C6H6O4S/c1-3(7)11-4-2-5(8)10-6(4)9/h4H,2H2,1H3, SAMSA, C6H6O4S, C6-H6-O4-S, CID97914, AR-1H6488, 7151-53-3,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.999g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.17g/mol
Monoisotopic Mass	173.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	85.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number