2,2'-Thiodiacetic acid - CAS 123-93-3
Catalog: |
BB005760 |
Product Name: |
2,2'-Thiodiacetic acid |
CAS: |
123-93-3 |
Synonyms: |
2-(carboxymethylsulfanyl)acetic acid |
IUPAC Name: | 2-(carboxymethylsulfanyl)acetic acid |
Description: | 2,2'-Thiodiacetic acid (CAS# 123-93-3) is a highly flexible ligand used in the synthesis of a series of metal complexes. |
Molecular Weight: | 150.15 |
Molecular Formula: | C4H6O4S |
Canonical SMILES: | C(C(=O)O)SCC(=O)O |
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 |
Boiling Point: | 377 °C at 760 mmHg |
Melting Point: | 128-131 °C |
Flash Point: | 181.8°C |
Density: | 1.535 g/cm3 |
Appearance: | Greyish crystalline powder |
Storage: | -20 °C |
Decomposition: | When heated to decomposition or on contact with acid or acid fumes it emits toxic fumes of /sulfur oxides/ |
MDL: | MFCD00004359 |
LogP: | -0.11120 |
Stability: | Stable under normal temperatures and pressures. |
GHS Hazard Statement: | H314 (97.48%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22704775 | 20120830 | Facilitated transport of Pd(II) through a supported liquid membrane (SLM) containing N,N,N',N'-tetra-(2-ethylhexyl) thiodiglycolamide T(2EH)TDGA: a novel carrier | Journal of hazardous materials |
22219769 | 20111101 | Hexaaqua-cobalt(II) bis-(2,2'-sulfanediyldiacetato-κO,S,O')cobaltate(II) tetra-hydrate | Acta crystallographica. Section E, Structure reports online |
21708233 | 20110828 | Toxicokinetics of bis(2-chloroethoxy)methane following intravenous administration and dermal application in male and female F344/N rats and B6C3F1 mice | Toxicology letters |
21726762 | 20110815 | Extractive spectrophotometric determination of palladium with N,N,N',N'-tetra(2-ethylhexyl)-thiodiglycolamide T(2EH)TDGA | Talanta |
21754589 | 20110601 | 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 |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.99867984 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.99867984 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 99.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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