200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116850-56-7
116850-56-7 | 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-naphthalenyl)-
CAS No: 116850-56-7 Catalog No: AG000DAV MDL No:
Product Description
Catalog Number:
AG000DAV
Chemical Name:
4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-(2-naphthalenyl)-
CAS Number:
116850-56-7
Molecular Formula:
C14H13N3OS
Molecular Weight:
271.3375
IUPAC Name:
4-methyl-3-methylsulfinyl-5-naphthalen-2-yl-1,2,4-triazole
InChI:
InChI=1S/C14H13N3OS/c1-17-13(15-16-14(17)19(2)18)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
InChI Key:
FDTVBXXBCICJCZ-UHFFFAOYSA-N
SMILES:
CS(=O)c1nnc(n1C)c1ccc2c(c1)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.338g/mol
Monoisotopic Mass:
271.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.