| CAS Number | 893726-76-6 |
| Catalog Number | AG01A0QH |
| Chemical Name | 2-[(5-([(4-Methylphenyl)methyl]sulfanyl)-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide |
| IUPAC Name | 2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C12H14N4OS3/c1-8-2-4-9(5-3-8)6-18-11-15-16-12(20-11)19-7-10(17)14-13/h2-5H,6-7,13H2,1H3,(H,14,17) |
| InChI Key | TTWNZFITUVDXDU-UHFFFAOYSA-N |
| MDL Number | MFCD07364310 |
| Molecular Formula | C12H14N4OS3 |
| Molecular Weight | 326.4608 |
| SMILES | CC1=CC=C(CSC2SC(SCC(NN)=O)=NN=2)C=C1 |
| Synonyms | 2-[(5-{[(4-methylphenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide,
893726-76-6,
SBB040750,
ZINC36724731,
AKOS000268989,
MCULE-1590137273,
NE34409,
EN300-110766,
[5-(4-Methylphenylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]acetic acid hydrazide,
2-{5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-ylthio}acetohydrazide,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.451g/mol |
| Monoisotopic Mass | 326.033g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 160A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number