| CAS Number | 65911-12-8 |
| Catalog Number | AG01DWKW(AGN-PC-0OFHVN) |
| Chemical Name | 8-(1,3-thiazol-4-yl)-9H-purin-6-amine |
| IUPAC Name | 8-(1,3-thiazol-4-yl)-7H-purin-6-amine |
| InChI | InChI=1S/C8H6N6S/c9-6-5-8(11-2-10-6)14-7(13-5)4-1-15-3-12-4/h1-3H,(H3,9,10,11,13,14) |
| InChI Key | WIUSWBSDLSUCNF-UHFFFAOYSA-N |
| MDL Number | MFCD24577002 |
| Molecular Formula | C8H6N6S |
| Molecular Weight | 218.2384 |
| SMILES | NC1=C2C(NC(C3N=CSC=3)=N2)=NC=N1 |
| Synonyms | 8-(thiazol-4-yl)-9H-purin-6-amine,
9H-Purin-6-amine, 8-(4-thiazolyl)-,
65911-12-8,
CHEMBL3249793,
8-thiazol-4-yl-9H-purin-6-amine,
AC1MHMYW,
AIDS195548,
CID3007767,
8-(1,3-thiazol-4-yl)-7H-purin-6-amine,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.037465g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.24g/mol |
| Monoisotopic Mass | 218.037465g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 122Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number