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Home > Indoles and Oxindole > 847783-66-8
847783-66-8 | 4-cyclopropyl-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 847783-66-8 Catalog No: AG019OEN MDL No:MFCD07312882
Product Description
Catalog Number:
AG019OEN
Chemical Name:
4-cyclopropyl-5-(1H-indol-3-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
847783-66-8
Molecular Formula:
C13H12N4S
Molecular Weight:
256.3262
MDL Number:
MFCD07312882
IUPAC Name:
4-cyclopropyl-3-(1H-indol-3-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H12N4S/c18-13-16-15-12(17(13)8-5-6-8)10-7-14-11-4-2-1-3-9(10)11/h1-4,7-8,14H,5-6H2,(H,16,18)
InChI Key:
ZHELPWYYTQLQJA-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1C1CC1)c1c[nH]c2c1cccc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.327g/mol
Monoisotopic Mass:
256.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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