| CAS Number | 1177287-86-3 |
| Catalog Number | AG00HE2P(AGN-PC-0WNMSI) |
| Chemical Name | 5-(2,4-Dimethoxyphenyl)-1,3,4-thiadiazol-2-ylamine Hydrochloride |
| IUPAC Name | 5-(2,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C10H11N3O2S.ClH/c1-14-6-3-4-7(8(5-6)15-2)9-12-13-10(11)16-9;/h3-5H,1-2H3,(H2,11,13);1H |
| InChI Key | JOKDTBWLQOYDNU-UHFFFAOYSA-N |
| MDL Number | MFCD07403673 |
| Molecular Formula | C12H28NO24P6 |
| Molecular Weight | 756.1856 |
| SMILES | COc1cc(OC)ccc1c1n[nH]c(=N)s1.Cl |
| Synonyms | 1177287-86-3,
5-(2,4-DIMETHOXYPHENYL)-1,3,4-THIADIAZOL-2-YLAMINE HYDROCHLORIDE,
5-(2,4-Dimethoxyphenyl)-1,3,4-thiadiazol-2-ylamine, HCl,
ATD-0021,
ZX-BK001877,
KM4441,
AKOS005143725,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.735g/mol |
| Monoisotopic Mass | 273.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number