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Home > Indoles and Oxindole > 887206-14-6
887206-14-6 | 5-(1(H)-INDOL-3-YL)-4-(2-METHOXYETHYL)-4(H)-1,2,4-TRIAZOLE-3-THIOL
CAS No: 887206-14-6 Catalog No: AG01AR04 MDL No:MFCD04971904
Product Description
Catalog Number:
AG01AR04
Chemical Name:
5-(1(H)-INDOL-3-YL)-4-(2-METHOXYETHYL)-4(H)-1,2,4-TRIAZOLE-3-THIOL
CAS Number:
887206-14-6
MDL Number:
MFCD04971904
IUPAC Name:
3-(1H-indol-3-yl)-4-(2-methoxyethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H14N4OS/c1-18-7-6-17-12(15-16-13(17)19)10-8-14-11-5-3-2-4-9(10)11/h2-5,8,14H,6-7H2,1H3,(H,16,19)
InChI Key:
KKUPRNIYWHCGCL-UHFFFAOYSA-N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.342g/mol
Monoisotopic Mass:
274.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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