Cafenstrole
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Product Description
Product
Cafenstrole
CAS
125306-83-4
Formula
C16H22N4O3S
Synonym
CAFENSTROLE; cafenstrole (pa iso); CAFENSTROLE STANDARD; ch-900; N,N-diethyl-3-((2,4,6-trimethylphenyl)sulfonyl)-1H-1,2,4-trizole-1-carboxamide; N,N-DIETHYL-3-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE; N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazol-1-carboxamide; N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide
Typical Product Specifications
Molecular weight
350.44
SMILES
CCN(CC)C(=O)n1cnc(n1)S(=O)(=O)c2c(cc(cc2C)C)C
InChI
HFEJHAAIJZXXRE-UHFFFAOYSA-N
InChIKey
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
Atmospheric OH Rate Constant
3.08E-11 cm3/molecule-sec
Melting Point
115 ° C
Water solubility
2.5 mg/L
log P (octanol-water)
3.21
Henry's Law Constant
4.13E-12 atm-m3/mole
Vapor Pressure
2.24E-11 mm Hg
Chemical Structure
Class
Cafenstrole
Product Description
Product
Cafenstrole
CAS
125306-83-4
Formula
C16H22N4O3S
Synonym
CAFENSTROLE; cafenstrole (pa iso); CAFENSTROLE STANDARD; ch-900; N,N-diethyl-3-((2,4,6-trimethylphenyl)sulfonyl)-1H-1,2,4-trizole-1-carboxamide; N,N-DIETHYL-3-(2,4,6-TRIMETHYLPHENYLSULFONYL)-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE; N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazol-1-carboxamide; N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide
Typical Product Specifications
Molecular weight
350.44
SMILES
CCN(CC)C(=O)n1cnc(n1)S(=O)(=O)c2c(cc(cc2C)C)C
InChI
HFEJHAAIJZXXRE-UHFFFAOYSA-N
InChIKey
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
Atmospheric OH Rate Constant
3.08E-11 cm3/molecule-sec
Melting Point
115 ° C
Water solubility
2.5 mg/L
log P (octanol-water)
3.21
Henry's Law Constant
4.13E-12 atm-m3/mole
Vapor Pressure
2.24E-11 mm Hg
Chemical Structure
Class
