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Home > Indoles and Oxindole > 94830-21-4
94830-21-4 | 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
CAS No: 94830-21-4 Catalog No: AG019HF8 MDL No:MFCD02725460
Product Description
Catalog Number:
AG019HF8
Chemical Name:
5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
CAS Number:
94830-21-4
Molecular Formula:
C16H12N4S
Molecular Weight:
292.3583
MDL Number:
MFCD02725460
IUPAC Name:
3-(1H-indol-3-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C16H12N4S/c21-16-19-18-15(20(16)11-6-2-1-3-7-11)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H,(H,19,21)
InChI Key:
FIDZHWGHYSFPCS-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1c1ccccc1)c1c[nH]c2c1cccc2
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.36g/mol
Monoisotopic Mass:
292.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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