AG000JXM

123-93-3 | Acetic acid, 2,2'-thiobis-

AG000JXM

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CAS Number	123-93-3
Catalog Number	AG000JXM(AGN-PC-0JKLU9)
Chemical Name	Acetic acid, 2,2'-thiobis-
EC Number	204-663-9
IUPAC Name	2-(carboxymethylsulfanyl)acetic acid
InChI	InChI=1S/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI Key	UVZICZIVKIMRNE-UHFFFAOYSA-N
MDL Number	MFCD00004359
Molecular Formula	C4H6O4S
Molecular Weight	150.1530
SMILES	O=C(O)CSCC(O)=O
UNII	483M3RG5GW
Synonyms	thiodiacetic acid, thiodiglycolic acid, Thiodiglycolic acid, 2,2'-Thiodiacetic acid, 123-93-3, Thiodiacetic acid, Mercaptodiacetic acid, TDGA, Dicarboxymethyl sulfide, Thiodi(acetic acid), (Carboxymethylthio)acetic acid, 2,2'-Thiodiethanoic acid, THIODIGLYCOLLIC ACID, Acetic acid, thiodi-, USAF E-2, USAF CB-36, Acetic acid, 2,2'-thiobis-, 2-(carboxymethylsulfanyl)acetic acid, 2,2'-Thiobisacetic acid, 2-[(carboxymethyl)sulfanyl]acetic acid, Dicarboxydimethyl sulfide, NSC28743, UNII-483M3RG5GW, NSC 28743, A 6402, HSDB 2707, EINECS 204-663-9, BRN 1764392, 2,2'-sulfanediyldiacetic acid, AI3-25085, 483M3RG5GW, CHEBI:35012, Dimethylsulfide-alpha-alpha'-dicarboxylic acid, UVZICZIVKIMRNE-UHFFFAOYSA-N, .beta.,.beta.'-Thiodiglycolic acid, Thiodigly colic acid, NSC-28743, Acetic acid,2'-thiobis-, Thiodiglycolic acid, 98%, WLN: QV1S1VQ, Dimethylsulfide-.alpha.,.alpha.'-dicarboxylic acid, 2,2'-Thio-bis(acetic acid), 2,2'-Thio-bis[acetic acid], 2-(carboxymethylthio)acetic acid, thiodi(acetic, thiodi-aceticaci, usafcb-36, dicarboxymethylsulfide, MFCD00004359, PubChem10792, 2,2-thiodiglycolic acid, Bis(carboxymethyl)sulfide, AC1L1LAS, EC 204-663-9, (carboxymethylthio)aceticacid, NCIStruc1_001632, NCIStruc2_000011, 2,2'-Thiobis[acetic acid], 4-03-00-00612 (Beilstein Handbook Reference), KSC489O1J, SCHEMBL144220, alpha,alpha'-Dicarboxylic acid, 2,2 -Thio-bis[acetic acid], (carboxymethylthio) acetic acid, 2,2'-Sulphanediyldiacetic acid, CHEMBL1570500, DTXSID1051432, CTK3I9714, 2,2'-Thiodiacetic acid, 98%, NCI28743, NSC40469, STR01756, ZINC1646642, CCG-37662, NCGC00013355, NSC-40469, SBB056921, STL453655, AKOS000120451, MCULE-8112166808, NE10310, RP21353, TRA0062109, KS-00000W71, NCGC00013355-02, NCGC00096472-01, AJ-28702, AN-22931, LS-12888, NCI60_002355, SC-19008, FT-0609307, ST24038383, ST50824205, 2-(2-hydroxy-2-oxoethylsulfanyl)ethanoic acid, C14872, 2,2 inverted exclamation mark -thiobis-aceticaci, 2,2 inverted exclamation mark -thiodiethanoicacid, I09-0614, J-005004, J-524948, beta,beta inverted exclamation mark -thiodiglycolicacid, F0001-0373, Z1259163773, InChI=1/C4H6O4S/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8, 9X6, 2,2'-Thiodiglycolic acid, Thiodi(essigsaure), THIODIGLYCOLICACID, C4H6O4S, 2,2'-Thiodi(essigsaure), C4-H6-O4-S, CID31277, Thiodiglycolic acid, 98% - 100G 100g, T0203, T1248, Dimethylsulfide-alpha,alpha'-dicarboxylic acid, 108149-60-6, 6944-64-5,

Complexity	108
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.999g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	150.148g/mol
Monoisotopic Mass	149.999g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	99.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

Lot Number