| CAS Number | 893745-58-9 |
| Catalog Number | AG019V06(AGN-PC-0WOAZO) |
| Chemical Name | 2-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid |
| IUPAC Name | 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid |
| InChI | InChI=1S/C5H6N2O2S2/c1-3(4(8)9)11-5-7-6-2-10-5/h2-3H,1H3,(H,8,9) |
| InChI Key | SFHYUQDITCVKIT-UHFFFAOYSA-N |
| MDL Number | MFCD06803724 |
| Molecular Formula | C5H6N2O2S2 |
| Molecular Weight | 190.2433 |
| SMILES | CC(C(O)=O)SC1SC=NN=1 |
| Synonyms | 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid,
893745-58-9,
AC1Q2C53,
CTK6A3498,
AKOS000143685,
AKOS017268731,
MCULE-7273389458,
EN300-43350,
Z56279656,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.235g/mol |
| Monoisotopic Mass | 189.987g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number