AG003USB

4917-76-4 | 2,2'-Thiodisuccinic acid

AG003USB

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CAS Number	4917-76-4
Catalog Number	AG003USB(AGN-PC-0JLFV7)
Chemical Name	2,2'-Thiodisuccinic acid
EC Number	225-544-8
IUPAC Name	2-(1,2-dicarboxyethylsulfanyl)butanedioic acid
InChI	InChI=1S/C8H10O8S/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChI Key	SASYRHXVHLPMQD-UHFFFAOYSA-N
MDL Number	MFCD00020502
Molecular Formula	C8H10O8S
Molecular Weight	266.2252
SMILES	O=C(O)C(SC(CC(O)=O)C(O)=O)CC(O)=O
Synonyms	2,2-thiodisuccinic acid, thiodisuccinic acid, Thiodisuccinic acid, 4917-76-4, 2,2'-Thiodisuccinic acid, 2,2-Thiodisuccinic acid, Butanedioic acid, 2,2'-thiobis-, MFCD00020502, Succinic acid, 2,2'-thiodi-, 2,2'-sulfanediyldisuccinic acid, ThiodisuccinicAcid, EINECS 225-544-8, PubChem15325, AC1Q5SWS, AC1L31ZP, ACMC-1AO15, AC1Q74U5, SCHEMBL10729283, Butanedioic acid,2,2'-thiobis-, CTK4J1123, SASYRHXVHLPMQD-UHFFFAOYSA-, SASYRHXVHLPMQD-UHFFFAOYSA-N, KS-000014DA, ANW-30734, AKOS015898854, ACM4917764, API0004395, MCULE-8895381255, RP29488, VZ33871, 2-(1,2-dicarboxyethylthio)butanedioic acid, DB-051607, TC-119479, FT-0635480, 2-(1,2-dicarboxyethylsulfanyl)butanedioic acid, 2-[(1,2-dicarboxyethyl)sulfanyl]butanedioic acid, A827665, C-16676, I09-1470, J-506842, 2-(1,4-dihydroxy-1,4-dioxobutan-2-yl)sulfanylbutanedioic acid, 2-[1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfanylbutanedioic acid, InChI=1/C8H10O8S/c9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16), C8H10O8S, C8-H10-O8-S, AR-1D1840, CID107352, T0897, 627-64-5,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.01g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	266.22g/mol
Monoisotopic Mass	266.01g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	175A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number