200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 153595-92-7
153595-92-7 | 5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS No: 153595-92-7 Catalog No: AG00HY58 MDL No:MFCD00169963
Product Description
Catalog Number:
AG00HY58
Chemical Name:
5-(1H-indol-3-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
CAS Number:
153595-92-7
Molecular Formula:
C17H14N4S
Molecular Weight:
306.3849
MDL Number:
MFCD00169963
IUPAC Name:
3-(1H-indol-3-ylmethyl)-4-phenyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C17H14N4S/c22-17-20-19-16(21(17)13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15/h1-9,11,18H,10H2,(H,20,22)
InChI Key:
KWXJFDXNNYPOGY-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(n1c1ccccc1)Cc1c[nH]c2c1cccc2
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.387g/mol
Monoisotopic Mass:
306.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.