200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113486-92-3
113486-92-3 | 6,6'-Bi-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole, 3,3'-bis(4-methylphenyl)-
CAS No: 113486-92-3 Catalog No: AG0008R4 MDL No:
Product Description
Catalog Number:
AG0008R4
Chemical Name:
6,6'-Bi-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole, 3,3'-bis(4-methylphenyl)-
CAS Number:
113486-92-3
Molecular Formula:
C20H14N8S2
Molecular Weight:
430.5088
IUPAC Name:
3-(4-methylphenyl)-6-[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
InChI:
InChI=1S/C20H14N8S2/c1-11-3-7-13(8-4-11)15-21-23-19-27(15)25-17(29-19)18-26-28-16(22-24-20(28)30-18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
PSWIOERBQOKPID-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nnc2n1nc(s2)c1sc2n(n1)c(nn2)c1ccc(cc1)C
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.078g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.508g/mol
Monoisotopic Mass:
430.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.