769151-16-8
4-BR-2-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Name
4-BR-2-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
Formula
C21 H21 Br Cl N3 O2 S
MolWeight
494.839
1Identification
【Name】
4-BR-2-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153843
【English Synonyms】
【Formula】
C21 H21 Br Cl N3 O2 S
【MolWeight】
494.839
【Inchi】
InChI=1S/C21H21BrClN3O2S/c22-15-10-11-19(28-20(27)17-8-4-5-9-18(17)23)14(12-15)13-24-26-21(29)25-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H2,25,26,29)/b24-13+
【InChIKey】
InChIKey=IWWRQUSJEPTONO-ZMOGYAJESA-N
【SMILES】
c1ccc(c(c1)C(=O)Oc2ccc(cc2/C=N/NC(=S)NC3CCCCC3)Br)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((CYCLOHEXYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATE.cml
Quick Release
TOP Suppliers
Sigma-Aldrich Corporation
Catalog No:L392960-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 769151-16-8 Suppliers>>
Catalog No:L392960-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
More 769151-16-8 Suppliers>>