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Home > Indoles and Oxindole > 847783-67-9
847783-67-9 | 4-(furan-2-ylmethyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 847783-67-9 Catalog No: AG019OEM MDL No:MFCD07312996
Product Description
Catalog Number:
AG019OEM
Chemical Name:
4-(furan-2-ylmethyl)-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
847783-67-9
Molecular Formula:
C15H12N4OS
Molecular Weight:
296.3470
MDL Number:
MFCD07312996
IUPAC Name:
4-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H12N4OS/c21-15-18-17-14(19(15)9-10-4-3-7-20-10)12-8-16-13-6-2-1-5-11(12)13/h1-8,16H,9H2,(H,18,21)
InChI Key:
PJGKCLZIXFCNJL-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1Cc1ccco1)c1c[nH]c2c1cccc2
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.073g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.348g/mol
Monoisotopic Mass:
296.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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