| CAS Number | 138613-72-6 |
| Catalog Number | AG01A5AA(AGN-PC-00ZPGI) |
| Chemical Name | 3-(Thiophen-2-yl)-1,2,4-thiadiazol-5-amine |
| IUPAC Name | 3-thiophen-2-yl-1,2,4-thiadiazol-5-amine |
| InChI | InChI=1S/C6H5N3S2/c7-6-8-5(9-11-6)4-2-1-3-10-4/h1-3H,(H2,7,8,9) |
| InChI Key | CEDMVAQWYXHFOL-UHFFFAOYSA-N |
| MDL Number | MFCD08436227 |
| Molecular Formula | C6H5N3S2 |
| Molecular Weight | 183.2540 |
| SMILES | NC1SN=C(C2SC=CC=2)N=1 |
| Synonyms | 3-(thiophen-2-yl)-1,2,4-thiadiazol-5-amine,
138613-72-6,
CHEMBL46647,
SCHEMBL9852137,
STL201412,
ZINC11914351,
AKOS002241355,
MCULE-6701823670,
NE39312,
NS-01631,
ST096554,
3-(2-thienyl)-1,2,4-thiadiazole-5-ylamine,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.247g/mol |
| Monoisotopic Mass | 182.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number