| CAS Number | 1000933-13-0 |
| Catalog Number | AG019LHV |
| Chemical Name | N-{3-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)amino]phenyl}acetamide |
| IUPAC Name | N-[3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]phenyl]acetamide |
| InChI | InChI=1S/C10H10N4OS2/c1-6(15)11-7-3-2-4-8(5-7)12-9-13-14-10(16)17-9/h2-5H,1H3,(H,11,15)(H,12,13)(H,14,16) |
| InChI Key | VYXZRWHKPSCGKQ-UHFFFAOYSA-N |
| MDL Number | MFCD09971455 |
| Molecular Formula | C10H10N4OS2 |
| Molecular Weight | 266.3426 |
| SMILES | CC(NC1=CC(NC2SC(S)=NN=2)=CC=C1)=O |
| Synonyms | N-{3-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)amino]phenyl}acetamide,
1000933-13-0,
N-{3-[(5-mercapto-1,3,4-thiadiazol-2-yl)amino]phenyl}acetamide,
AC1Q1KOG,
CTK6A1025,
ZINC20282208,
AKOS009174587,
MCULE-8524235978,
NE22852,
EN300-31311,
Z324553028,
n-(3-[(5-mercapto-1,3,4-thiadiazol-2-yl)amino]phenyl)acetamide,
|
| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.337g/mol |
| Monoisotopic Mass | 266.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 123A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number