| CAS Number | 929975-23-5 |
| Catalog Number | AG01EISC |
| Chemical Name | N-cyclopropyl-N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)acetamide |
| IUPAC Name | N-cyclopropyl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)acetamide |
| InChI | InChI=1S/C7H9N3OS2/c1-4(11)10(5-2-3-5)6-8-9-7(12)13-6/h5H,2-3H2,1H3,(H,9,12) |
| InChI Key | SDDCQVVNJNDNJZ-UHFFFAOYSA-N |
| MDL Number | MFCD09040408 |
| Molecular Formula | C7H9N3OS2 |
| Molecular Weight | 215.2959 |
| SMILES | CC(N(C1SC(S)=NN=1)C1CC1)=O |
| Synonyms | N-cyclopropyl-N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)acetamide,
N-cyclopropyl-N-(5-mercapto-1,3,4-thiadiazol-2-yl)acetamide,
929975-23-5,
AC1Q1K83,
CTK6A0311,
ZINC12505294,
AKOS033894564,
MCULE-8439483046,
NE22154,
EN300-26789,
AB00774701-01,
Z240127528,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.289g/mol |
| Monoisotopic Mass | 215.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number