| CAS Number | 893726-46-0 |
| Catalog Number | AG01A0Q5 |
| Chemical Name | 2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide |
| IUPAC Name | 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C11H11ClN4OS3/c12-8-3-1-7(2-4-8)5-18-10-15-16-11(20-10)19-6-9(17)14-13/h1-4H,5-6,13H2,(H,14,17) |
| InChI Key | QTHBVOGKSDNUFV-UHFFFAOYSA-N |
| MDL Number | MFCD07364298 |
| Molecular Formula | C11H11ClN4OS3 |
| Molecular Weight | 346.8792 |
| SMILES | NNC(CSC1SC(SCC2=CC=C(Cl)C=C2)=NN=1)=O |
| Synonyms | 2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide,
893726-46-0,
SBB040737,
ZINC36724710,
AKOS000268684,
MCULE-5654043031,
NE20577,
EN300-110754,
[5-(4-chlorobenzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]acetic acid hydrazide,
2-{5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-ylthio}acetohydrazide,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.866g/mol |
| Monoisotopic Mass | 345.978g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number