200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 1024523-01-0
1024523-01-0 | 5-[(1H-indol-3-yl)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
CAS No: 1024523-01-0 Catalog No: AG00IVE7 MDL No:MFCD08272816
Product Description
Catalog Number:
AG00IVE7
Chemical Name:
5-[(1H-indol-3-yl)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
1024523-01-0
Molecular Formula:
C18H16N4OS
Molecular Weight:
336.4108
MDL Number:
MFCD08272816
IUPAC Name:
3-(1H-indol-3-ylmethyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C18H16N4OS/c1-23-14-8-6-13(7-9-14)22-17(20-21-18(22)24)10-12-11-19-16-5-3-2-4-15(12)16/h2-9,11,19H,10H2,1H3,(H,21,24)
InChI Key:
PMVVWOXBPQMCRK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(S)nnc1Cc1c[nH]c2c1cccc2
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.104g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.413g/mol
Monoisotopic Mass:
336.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.