| CAS Number | 1016671-83-2 |
| Catalog Number | AG019WEJ(AGN-PC-0WO4DV) |
| Chemical Name | 5-(5-methylthiophen-2-yl)-4H-1,2,4-triazol-3-amine |
| IUPAC Name | 5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-amine |
| InChI | InChI=1S/C7H8N4S/c1-4-2-3-5(12-4)6-9-7(8)11-10-6/h2-3H,1H3,(H3,8,9,10,11) |
| InChI Key | FQNGBHUYWMXHGW-UHFFFAOYSA-N |
| MDL Number | MFCD09806020 |
| Molecular Formula | C7H8N4S |
| Molecular Weight | 180.2302 |
| SMILES | CC1SC(C2NC(N)=NN=2)=CC=1 |
| Synonyms | 5-(5-methylthiophen-2-yl)-4H-1,2,4-triazol-3-amine,
1016671-83-2,
AC1Q2N0A,
CTK6C0083,
CTK8F6529,
ZINC19411621,
AKOS000164559,
AKOS022473752,
MCULE-5955963462,
NE49877,
EN300-51691,
AB01003844-01,
Z763030004,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.229g/mol |
| Monoisotopic Mass | 180.047g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 95.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number