| CAS Number | 1461713-54-1 |
| Catalog Number | AG01A6X8(AGN-PC-0WO35D) |
| Chemical Name | 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]acetic acid |
| IUPAC Name | 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]acetic acid |
| InChI | InChI=1S/C5H7N3O2S/c1-6-5-8-7-3(11-5)2-4(9)10/h2H2,1H3,(H,6,8)(H,9,10) |
| InChI Key | MFNFSGSVEKBLKU-UHFFFAOYSA-N |
| MDL Number | MFCD25970471 |
| Molecular Formula | C5H7N3O2S |
| Molecular Weight | 173.1930 |
| SMILES | CNC1SC(CC(O)=O)=NN=1 |
| Synonyms | 2-[5-(methylamino)-1,3,4-thiadiazol-2-yl]acetic acid,
1461713-54-1,
ZINC95348336,
AKOS023624052,
MCULE-2114734282,
NE39553,
Z1655103486,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.19g/mol |
| Monoisotopic Mass | 173.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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