200,000+ products from a single source!
sales@angenechem.com
126016-44-2 | 3H-1,2,4-Triazole-3-thione, 5-(5-bromo-1H-indol-2-yl)-2,4-dihydro-4-phenyl-
CAS No: 126016-44-2 Catalog No: AG000QRK MDL No:
Product Description
Catalog Number:
AG000QRK
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(5-bromo-1H-indol-2-yl)-2,4-dihydro-4-phenyl-
CAS Number:
126016-44-2
Molecular Formula:
C16H11BrN4S
Molecular Weight:
371.2543
IUPAC Name:
3-(5-bromo-1H-indol-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C16H11BrN4S/c17-11-6-7-13-10(8-11)9-14(18-13)15-19-20-16(22)21(15)12-4-2-1-3-5-12/h1-9,18H,(H,20,22)
InChI Key:
CPYNIQDZNIDXGN-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc([nH]2)c1n[nH]c(=S)n1c1ccccc1
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.989g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.256g/mol
Monoisotopic Mass:
369.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^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.