| CAS Number | 929972-33-8 |
| Catalog Number | AG019KIR |
| Chemical Name | 3-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]propanamide |
| IUPAC Name | 3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide |
| InChI | InChI=1S/C9H10N4OS2/c10-7(14)3-4-13-8(11-12-9(13)15)6-2-1-5-16-6/h1-2,5H,3-4H2,(H2,10,14)(H,12,15) |
| InChI Key | PBKQPKTWRMDFRX-UHFFFAOYSA-N |
| MDL Number | MFCD09040509 |
| Molecular Formula | C9H10N4OS2 |
| Molecular Weight | 254.3319 |
| SMILES | NC(CCN1C(C2SC=CC=2)=NN=C1S)=O |
| Synonyms | 3-[3-sulfanyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-yl]propanamide,
3-(3-mercapto-5-thien-2-yl-4H-1,2,4-triazol-4-yl)propanamide,
EN300-27105,
929972-33-8,
AC1Q4ZMS,
CTK7D3204,
CTK8F4645,
ZINC14093436,
AKOS008091537,
AKOS009117857,
MCULE-9271097285,
NE39814,
BC4148032,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.326g/mol |
| Monoisotopic Mass | 254.03g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number