200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116850-68-1
116850-68-1 | 4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfinyl)-
CAS No: 116850-68-1 Catalog No: AG000DAJ MDL No:
Product Description
Catalog Number:
AG000DAJ
Chemical Name:
4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylsulfinyl)-
CAS Number:
116850-68-1
Molecular Formula:
C11H13N3O2S
Molecular Weight:
251.3048
IUPAC Name:
3-(4-methoxyphenyl)-4-methyl-5-methylsulfinyl-1,2,4-triazole
InChI:
InChI=1S/C11H13N3O2S/c1-14-10(12-13-11(14)17(3)15)8-4-6-9(16-2)7-5-8/h4-7H,1-3H3
InChI Key:
HIKKEGKGIDBBOI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(n1C)S(=O)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.304g/mol
Monoisotopic Mass:
251.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.