| CAS Number | 52868-68-5 |
| Catalog Number | AG00DNDQ(AGN-PC-0WB40R) |
| Chemical Name | 5-Amino-1-methyl-2-(methylthio)-1H-imidazole-4-carboxamide |
| IUPAC Name | 5-amino-1-methyl-2-methylsulfanylimidazole-4-carboxamide |
| InChI | InChI=1S/C6H10N4OS/c1-10-4(7)3(5(8)11)9-6(10)12-2/h7H2,1-2H3,(H2,8,11) |
| InChI Key | GERGUBQVOHWPHN-UHFFFAOYSA-N |
| MDL Number | MFCD09864577 |
| Molecular Formula | C6H10N4OS |
| Molecular Weight | 186.2348 |
| SMILES | CSc1nc(c(n1C)N)C(=O)N |
| Synonyms | 5-AMINO-1-METHYL-2-(METHYLTHIO)-1H-IMIDAZOLE-4-CARBOXAMIDE,
52868-68-5,
5-Amino-1-methyl-2-(methylsulfanyl)-1H-imidazole-4-carboxamide,
CTK4J6650,
DTXSID70650995,
ZX-CM006314,
FCH836444,
MFCD09864577,
ZINC19092705,
AKOS006280779,
MCULE-9993811281,
ACM52868685,
AJ-71888,
Y-5890,
5-AMINO-1-METHYL-2- -1H-IMIDAZOLE-4-CARBOXAMIDE,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.233g/mol |
| Monoisotopic Mass | 186.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number