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Home > Indoles and Oxindole > 112817-80-8
112817-80-8 | 2H-Indole-2-thione, 1,3-dihydro-3-methyl-1-phenyl-
CAS No: 112817-80-8 Catalog No: AG007S76 MDL No:
Product Description
Catalog Number:
AG007S76
Chemical Name:
2H-Indole-2-thione, 1,3-dihydro-3-methyl-1-phenyl-
CAS Number:
112817-80-8
Molecular Formula:
C15H13NS
Molecular Weight:
239.3354
IUPAC Name:
3-methyl-1-phenyl-3H-indole-2-thione
InChI:
InChI=1S/C15H13NS/c1-11-13-9-5-6-10-14(13)16(15(11)17)12-7-3-2-4-8-12/h2-11H,1H3
InChI Key:
CZDRPELQAWWJSJ-UHFFFAOYSA-N
SMILES:
S=C1C(C)c2c(N1c1ccccc1)cccc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.336g/mol
Monoisotopic Mass:
239.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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