| CAS Number | 924833-38-5 |
| Catalog Number | AG00J3D7(AGN-PC-0WB43L) |
| Chemical Name | 3-(5-Methyl-1,3,4-thiadiazol-2-yl)aniline |
| IUPAC Name | 3-(5-methyl-1,3,4-thiadiazol-2-yl)aniline |
| InChI | InChI=1S/C9H9N3S/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,10H2,1H3 |
| InChI Key | KGKHZNZWEOBBIP-UHFFFAOYSA-N |
| MDL Number | MFCD09063445 |
| Molecular Formula | C9H9N3S |
| Molecular Weight | 191.2529 |
| SMILES | C1(C2C=CC=C(N)C=2)SC(=NN=1)C |
| Synonyms | 3-(5-METHYL-1,3,4-THIADIAZOL-2-YL)ANILINE,
924833-38-5,
SCHEMBL16636791,
DTXSID50587932,
KGKHZNZWEOBBIP-UHFFFAOYSA-N,
MFCD09063445,
ZINC15080671,
AKOS006281230,
AJ-67202,
Y-5233,
Benzenamine, 3-(5-methyl-1,3,4-thiadiazol-2-yl)-,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.252g/mol |
| Monoisotopic Mass | 191.052g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number