(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid - CAS 50918-26-8
Catalog: |
BB050578 |
Product Name: |
(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid |
CAS: |
50918-26-8 |
Synonyms: |
2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)acetic acid; [(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid |
IUPAC Name: | 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid |
Description: | (5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid (CAS# 50918-26-8 ) is a useful research chemical. |
Molecular Weight: | 190.2 |
Molecular Formula: | C5H6N2O2S2 |
Canonical SMILES: | CC1=NN=C(S1)SCC(=O)O |
InChI: | InChI=1S/C5H6N2O2S2/c1-3-6-7-5(11-3)10-2-4(8)9/h2H2,1H3,(H,8,9) |
InChI Key: | DJBLVKBSHOUHAF-UHFFFAOYSA-N |
Boiling Point: | 396.8 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.54 g/cm3 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.98706979 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.98706979 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 117 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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