| CAS Number | 871544-54-6 |
| Catalog Number | AG00IEE1(AGN-PC-0WO3HM) |
| Chemical Name | 5-[(methoxycarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid |
| IUPAC Name | 5-(methoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C7H8N2O4S/c1-3-4(6(10)11)5(14-9-3)8-7(12)13-2/h1-2H3,(H,8,12)(H,10,11) |
| InChI Key | KPDHESFSNZDKBH-UHFFFAOYSA-N |
| MDL Number | MFCD07352312 |
| Molecular Formula | C7H8N2O4S |
| Molecular Weight | 216.2144 |
| SMILES | COC(NC1=C(C(O)=O)C(C)=NS1)=O |
| Synonyms | 871544-54-6,
5-[(methoxycarbonyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid,
5-[(methoxycarbonyl)amino]-3-methylisothiazole-4-carboxylic acid,
AC1OFL29,
AC1Q44CL,
CTK6J2934,
5-(methoxycarbonylamino)-3-methyl-1,2-thiazole-4-carboxylic Acid,
ZINC4218675,
MFCD07352312,
SBB078268,
AKOS005137376,
MCULE-7228824229,
NE13588,
EN300-14968,
Z111874998,
5-(methoxycarbonylamino)-3-methylisothiazole-4-carboxylic acid,
5-[(methoxycarbonyl)amino]-3-methylisothiazole-4-carboxylic acid, AldrichCPR,
CID7131267,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.211g/mol |
| Monoisotopic Mass | 216.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number