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Home > Indoles and Oxindole > 438030-31-0
438030-31-0 | 5-(1H-indol-3-yl)-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
CAS No: 438030-31-0 Catalog No: AG019HE6 MDL No:MFCD03478336
Product Description
Catalog Number:
AG019HE6
Chemical Name:
5-(1H-indol-3-yl)-4-(3-methylphenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
438030-31-0
Molecular Formula:
C17H14N4S
Molecular Weight:
306.3849
MDL Number:
MFCD03478336
IUPAC Name:
3-(1H-indol-3-yl)-4-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C17H14N4S/c1-11-5-4-6-12(9-11)21-16(19-20-17(21)22)14-10-18-15-8-3-2-7-13(14)15/h2-10,18H,1H3,(H,20,22)
InChI Key:
RTHYPKREPKNNCU-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1c(S)nnc1c1c[nH]c2c1cccc2
Properties
Complexity:
477
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:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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