| CAS Number | 1086385-71-8 |
| Catalog Number | AG00909V(AGN-PC-0WBQC4) |
| Chemical Name | 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine |
| IUPAC Name | 5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine |
| InChI | InChI=1S/C10H11N3O2S/c1-14-7-4-3-6(5-8(7)15-2)9-12-10(11)13-16-9/h3-5H,1-2H3,(H2,11,13) |
| InChI Key | WDEDMMNPBVPGJS-UHFFFAOYSA-N |
| MDL Number | MFCD11655557 |
| Molecular Formula | C10H11N3O2S |
| Molecular Weight | 237.2782 |
| SMILES | COc1cc(ccc1OC)c1snc(n1)N |
| Synonyms | 1086385-71-8,
5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-3-amine,
MFCD11655557,
ZINC36294225,
AKOS013867468,
MCULE-6411465943,
F9995-0966,
3-Amino-5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazole, 96%,
3-Amino-5-(3,4-dimethoxyphenyl)-1,2,4-thiadiazole,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.277g/mol |
| Monoisotopic Mass | 237.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number