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Home > Indoles and Oxindole > 66354-90-3
66354-90-3 | 2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
CAS No: 66354-90-3 Catalog No: AG006N9G MDL No:
Product Description
Catalog Number:
AG006N9G
Chemical Name:
2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-1H-INDOLE
CAS Number:
66354-90-3
Molecular Formula:
C16H13N5S
Molecular Weight:
307.3729
IUPAC Name:
2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
InChI:
InChI=1S/C16H13N5S/c1-2-6-11(7-3-1)15-16(22-10-14-18-20-21-19-14)12-8-4-5-9-13(12)17-15/h1-9,17H,10H2,(H,18,19,20,21)
InChI Key:
FKWWOWZDEPIERM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]c2c(c1SCc1nnn[nH]1)cccc2
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.089g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.375g/mol
Monoisotopic Mass:
307.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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