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Home > Indoles and Oxindole > 831231-33-5
831231-33-5 | 4-ETHYL-5-(1(H)-INDOL-3-YL)-4(H)-1,2,4-TRIAZOLE-3-THIOL
CAS No: 831231-33-5 Catalog No: AG01AR03 MDL No:MFCD04971903
Product Description
Catalog Number:
AG01AR03
Chemical Name:
4-ETHYL-5-(1(H)-INDOL-3-YL)-4(H)-1,2,4-TRIAZOLE-3-THIOL
CAS Number:
831231-33-5
MDL Number:
MFCD04971903
IUPAC Name:
4-ethyl-3-(1H-indol-3-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H12N4S/c1-2-16-11(14-15-12(16)17)9-7-13-10-6-4-3-5-8(9)10/h3-7,13H,2H2,1H3,(H,15,17)
InChI Key:
WBXKXVACIHNWJX-UHFFFAOYSA-N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.316g/mol
Monoisotopic Mass:
244.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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