| CAS Number | 99390-23-5 |
| Catalog Number | AG00J2D4(AGN-PC-0WB5TP) |
| Chemical Name | 4-Methyl-1,2,5-thiadiazole-3-carboxylic acid |
| IUPAC Name | 4-methyl-1,2,5-thiadiazole-3-carboxylic acid |
| InChI | InChI=1S/C4H4N2O2S/c1-2-3(4(7)8)6-9-5-2/h1H3,(H,7,8) |
| InChI Key | UCOVZUMWLKAMJT-UHFFFAOYSA-N |
| MDL Number | MFCD18804669 |
| Molecular Formula | C4H4N2O2S |
| Molecular Weight | 144.1518 |
| SMILES | O=C(C1=NSN=C1C)O |
| Synonyms | 4-methyl-1,2,5-thiadiazole-3-carboxylic acid,
99390-23-5,
SCHEMBL3977216,
MFCD18804669,
ZINC38804045,
AKOS006378322,
DA-18060,
FT-0733887,
1,2,5-Thiadiazole-3-carboxylic acid, 4-methyl- (9CI),
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.148g/mol |
| Monoisotopic Mass | 143.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number