200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 66355-03-1
66355-03-1 | 2-(2,4-DIMETHYLPHENYL)-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
CAS No: 66355-03-1 Catalog No: AG006MXZ MDL No:
Product Description
Catalog Number:
AG006MXZ
Chemical Name:
2-(2,4-DIMETHYLPHENYL)-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
CAS Number:
66355-03-1
Molecular Formula:
C18H17N5S
Molecular Weight:
335.4261
IUPAC Name:
2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
InChI:
InChI=1S/C18H17N5S/c1-11-7-8-13(12(2)9-11)17-18(24-10-16-20-22-23-21-16)14-5-3-4-6-15(14)19-17/h3-9,19H,10H2,1-2H3,(H,20,21,22,23)
InChI Key:
QYTWSUBGAJZYQS-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)c1[nH]c2c(c1SCc1nnn[nH]1)cccc2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.12g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.429g/mol
Monoisotopic Mass:
335.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.