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Home > Indoles and Oxindole > 917898-61-4
917898-61-4 | Thiourea, N-[2-(2,3-dihydro-3,3-dimethyl-1H-indol-1-yl)phenyl]-
CAS No: 917898-61-4 Catalog No: AG006BI3 MDL No:
Product Description
Catalog Number:
AG006BI3
Chemical Name:
Thiourea, N-[2-(2,3-dihydro-3,3-dimethyl-1H-indol-1-yl)phenyl]-
CAS Number:
917898-61-4
Molecular Formula:
C17H19N3S
Molecular Weight:
297.4179
IUPAC Name:
[2-(3,3-dimethyl-2H-indol-1-yl)phenyl]thiourea
InChI:
InChI=1S/C17H19N3S/c1-17(2)11-20(14-9-5-3-7-12(14)17)15-10-6-4-8-13(15)19-16(18)21/h3-10H,11H2,1-2H3,(H3,18,19,21)
InChI Key:
JWVYJIITTSQWJR-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccccc1N1CC(c2c1cccc2)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.13g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.42g/mol
Monoisotopic Mass:
297.13g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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