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123-93-3 | Acetic acid, 2,2'-thiobis-
CAS No: 123-93-3 Catalog No: AG000JXM MDL No:MFCD00004359
Product Description
Catalog Number:
AG000JXM
Chemical Name:
Acetic acid, 2,2'-thiobis-
CAS Number:
123-93-3
Molecular Formula:
C4H6O4S
Molecular Weight:
150.1530
MDL Number:
MFCD00004359
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
SMILES:
OC(=O)CSCC(=O)O
EC Number:
204-663-9
UNII:
483M3RG5GW
Properties
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
Literature
| Title | Journal |
|---|---|
| Hexaaqua-cobalt(II) bis-(2,2'-sulfanediyldiacetato-κO,S,O')cobaltate(II) tetra-hydrate. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Aqua-(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)(thio-diacetato-κO,S,O')nickel(II) monohydrate. | Acta crystallographica. Section E, Structure reports online 20110601 |
| A comprehensive understanding of thioTEPA metabolism in the mouse using UPLC-ESI-QTOFMS-based metabolomics. | Biochemical pharmacology 20110415 |
| Poly[[piperazine-1,4-dium [diaqua-tetra-kis-(μ-sulfanediyldiacetato)-dicerate(III)]] trihydrate]. | Acta crystallographica. Section E, Structure reports online 20110301 |
| 2,2'-(Sulfanediyldimethyl-ene)bis-(1,3-benzothia-zole). | Acta crystallographica. Section E, Structure reports online 20110301 |
| Disturbances in the glutathione/ophthalmate redox buffer system in the woodchuck model of hepatitis virus-induced hepatocellular carcinoma. | HPB surgery : a world journal of hepatic, pancreatic and biliary surgery 20110101 |
| Single crystal EPR study of the dinuclear Cu(II) complex [Cu(tda)(phen)](2)·H(2)tda (tda = thiodiacetate, phen = phenanthroline): influence of weak interdimeric magnetic interactions. | The journal of physical chemistry. A 20101223 |
| Supplemented creatine induces changes in human metabolism of thiocompounds and one- and two-carbon units. | Physiological research 20100101 |
| New insights into the biodegradation of thiodiglycol, the hydrolysis product of Yperite (sulfur mustard gas). | Journal of applied microbiology 20090401 |
| Photoinduced linkage isomerism of {RuNO}(6) complexes with bioligands and related chelators. | Dalton transactions (Cambridge, England : 2003) 20090214 |
| Diagnostic significance of urinary thiodiglycolic acid as a possible tool for studying the role of vitamins B12 and folates in the metabolism of thiolic substances. | Physiological research 20070101 |
| Dialkyl 3,3'-thiodipropionate and dialkyl 2,2'-thiodiacetate antioxidants by lipase-catalyzed esterification and transesterification. | Journal of agricultural and food chemistry 20060419 |
| Thiodiglycolic acid as a possible causative agent of fixed drug eruption provoked only after continuous administration of S-carboxymethyl-L-cysteine: case report and review of reported cases. | The British journal of dermatology 20050701 |
| Bis(2-chloroethoxy)methane-induced mitochondrial and myofibrillar damage: short-term time-course study. | Toxicological sciences : an official journal of the Society of Toxicology 20040901 |
| DNA single strand breaks in peripheral lymphocytes associated with urinary thiodiglycolic acid levels in polyvinyl chloride workers. | Mutation research 20040711 |
| Spectroscopic, redox and biological activities of transition metal complexes with ons donor macrocyclic ligand derived from semicarbazide and thiodiglycolic acid. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20040701 |
| Pseudosymmetry in ammonium [(carboxymethyl)sulfanyl]acetate. | Acta crystallographica. Section C, Crystal structure communications 20031101 |
| Voltammetric determination of thiodiglycolic acid in urine. | Analytical and bioanalytical chemistry 20030101 |
| Synthesis of new chiral sulfinyldiacetic acid derivatives and attempt at chemoselective asymmetric Pummerer reaction. | Chemical & pharmaceutical bulletin 20020401 |
| Transformation of thiodiglycol by resting cells of Alcaligenes xylosoxydans PGH10. | Biotechnology progress 20020101 |
| [The bioutilization of thiodiglycol (a breakdown product of mustard gas): isolation of degraders and investigation of degradation conditions]. | Mikrobiologiia 20020101 |
| [Thiodiglycol metabolism in Alcaligenes xylosoxydans subsp. denitrificans]. | Mikrobiologiia 20020101 |
| Urinary thiodiglycolic acid levels for vinyl chloride monomer-exposed polyvinyl chloride workers. | Journal of occupational and environmental medicine 20011101 |
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