| CAS Number | 893726-43-7 |
| Catalog Number | AG01A0Q4 |
| Chemical Name | 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C16H13Cl2N5OS/c17-11-3-1-10(2-4-11)15-21-22-16(25-9-14(24)20-19)23(15)13-7-5-12(18)6-8-13/h1-8H,9,19H2,(H,20,24) |
| InChI Key | GMTAWRXJZIKEGK-UHFFFAOYSA-N |
| MDL Number | MFCD07364297 |
| Molecular Formula | C16H13Cl2N5OS |
| Molecular Weight | 394.2783 |
| SMILES | NNC(CSC1N(C2=CC=C(Cl)C=C2)C(C2=CC=C(Cl)C=C2)=NN=1)=O |
| Synonyms | 2-{[bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893726-43-7,
SBB040736,
ZINC36724708,
AKOS000268683,
MCULE-2255840818,
NE13604,
EN300-110753,
2-[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetohydrazide,
[4,5-Bis-(4-chlorophenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.274g/mol |
| Monoisotopic Mass | 393.022g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number