sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 1H-1,2,4-Triazole-1-carboxamide, N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-

1H-1,2,4-Triazole-1-carboxamide, N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-

CAS No.:
125306-83-4
Catalog Number:
AG000NGR
Molecular Formula:
C16H22N4O3S
Molecular Weight:
350.4359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000NGR
Chemical Name:
1H-1,2,4-Triazole-1-carboxamide, N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-
CAS Number:
125306-83-4
Molecular Formula:
C16H22N4O3S
Molecular Weight:
350.4359
MDL Number:
MFCD01631150
IUPAC Name:
N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide
InChI:
InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3
InChI Key:
HFEJHAAIJZXXRE-UHFFFAOYSA-N
SMILES:
CCN(C(=O)n1cnc(n1)S(=O)(=O)c1c(C)cc(cc1C)C)CC
EC Number:
603-054-9
UNII:
II8JP4LY7A
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.141g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.437g/mol
Monoisotopic Mass:
350.141g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Comparative study of human and mouse pregnane X receptor agonistic activity in 200 pesticides using in vitro reporter gene assays. Toxicology 20110227
The action of herbicides on fatty acid biosynthesis and elongation in barley and cucumber. Pest management science 20100701
Pesticides in water, fish and shellfish from littoral area of Lake Biwa. Bulletin of environmental contamination and toxicology 20090601
Development and validation of a method for the analysis of cafenstrole and its metabolite in brown rice grains and rice straw using high-performance liquid chromatography. Biomedical chromatography : BMC 20080301
Synthesis and herbicidal activity of N,N-diethyl-3-(arylselenonyl)-1H-1,2,4-triazole-1-carboxamide. Journal of agricultural and food chemistry 20061004
Covalent binding of chloroacetamide herbicides to the active site cysteine of plant type III polyketide synthases. Phytochemistry 20031101
Very-long-chain fatty acid biosynthesis is inhibited by cafenstrole, N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide and its analogs. Zeitschrift fur Naturforschung. C, Journal of biosciences 20010101
Properties