2-(Carbamimidoylthio)acetic Acid Hydrochloride - CAS 5425-78-5
Catalog: |
BB028580 |
Product Name: |
2-(Carbamimidoylthio)acetic Acid Hydrochloride |
CAS: |
5425-78-5 |
Synonyms: |
2-(carbamimidoylthio)acetic acid;hydrochloride; 2-carbamimidoylsulfanylacetic acid;hydrochloride |
IUPAC Name: | 2-carbamimidoylsulfanylacetic acid;hydrochloride |
Description: | 2-(Carbamimidoylthio)acetic Acid Hydrochloride (CAS# 5425-78-5) is used in preparation of guanidinopropionic acid analogs as antidiabetic agents. |
Molecular Weight: | 170.62 |
Molecular Formula: | C3H7ClN2O2S |
Canonical SMILES: | C(C(=O)O)SC(=N)N.Cl |
InChI: | InChI=1S/C3H6N2O2S.ClH/c4-3(5)8-1-2(6)7;/h1H2,(H3,4,5)(H,6,7);1H |
InChI Key: | DZLYRGFLNXMMIT-UHFFFAOYSA-N |
Boiling Point: | 307.9 ℃ at 760 mmHg |
Density: | 1.61 g/cm3 |
MDL: | MFCD12028171 |
LogP: | 1.68980 |
Publication Number | Title | Priority Date |
GB-488691-A | Improvements in vulcanization of rubber | 19370326 |
US-2211632-A | Vulcanization of rubber | 19370326 |
PMID | Publication Date | Title | Journal |
11312922 | 20010412 | Synthesis and biological activity of analogues of the antidiabetic/antiobesity agent 3-guanidinopropionic acid: discovery of a novel aminoguanidinoacetic acid antidiabetic agent | Journal of medicinal chemistry |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.9916763 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.9916763 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 113 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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