| CAS Number | 893726-16-4 |
| Catalog Number | AG01A0PV |
| Chemical Name | 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide |
| IUPAC Name | 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide |
| InChI | InChI=1S/C16H20ClN5OS/c17-12-8-6-11(7-9-12)15-20-21-16(24-10-14(23)19-18)22(15)13-4-2-1-3-5-13/h6-9,13H,1-5,10,18H2,(H,19,23) |
| InChI Key | BAOIPUTXWFRNGT-UHFFFAOYSA-N |
| MDL Number | MFCD07364286 |
| Molecular Formula | C16H20ClN5OS |
| Molecular Weight | 365.8809 |
| SMILES | NNC(CSC1N(C2CCCCC2)C(C2=CC=C(Cl)C=C2)=NN=1)=O |
| Synonyms | 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide,
893726-16-4,
SBB040728,
ZINC36724692,
AKOS000268670,
MCULE-3718391344,
NE20026,
EN300-110744,
2-[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-ylthio]acetohydrazide,
[5-(4-chlorophenyl)-4-cyclohexyl-4H-[1,2,4]triazol-3-ylsulfanyl]acetic acid hydrazide,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 365.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 365.88g/mol |
| Monoisotopic Mass | 365.108g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number