| CAS Number | 1086385-86-5 |
| Catalog Number | AG00909X(AGN-PC-0WBQAV) |
| Chemical Name | 5-(4-tert-Butylphenyl)-1,2,4-thiadiazol-3-amine |
| IUPAC Name | 5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-amine |
| InChI | InChI=1S/C12H15N3S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)15-16-10/h4-7H,1-3H3,(H2,13,15) |
| InChI Key | KMTRRQKJAQTEEY-UHFFFAOYSA-N |
| MDL Number | MFCD11655562 |
| Molecular Formula | C12H15N3S |
| Molecular Weight | 233.3326 |
| SMILES | C(C)(C)(C)C1=CC=C(C=C1)C1=NC(=NS1)N |
| Synonyms | 1086385-86-5,
5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-amine,
MFCD11655562,
3-Amino-5-(4-tert-butylphenyl)-1,2,4-thiadiazole, 96%,
DTXSID20675431,
ZINC36294239,
AKOS013868717,
MCULE-7591762651,
VU0422104-2,
L-3970,
F9995-0039,
3-Amino-5-(4-tert-butylphenyl)-1,2,4-thiadiazole,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.333g/mol |
| Monoisotopic Mass | 233.099g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number