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Home > Indoles and Oxindole > 917898-77-2
917898-77-2 | 1H-Indole, 2,3-dihydro-1-(3-isothiocyanato-2-pyridinyl)-3,3-dimethyl-
CAS No: 917898-77-2 Catalog No: AG006BHZ MDL No:
Product Description
Catalog Number:
AG006BHZ
Chemical Name:
1H-Indole, 2,3-dihydro-1-(3-isothiocyanato-2-pyridinyl)-3,3-dimethyl-
CAS Number:
917898-77-2
Molecular Formula:
C16H15N3S
Molecular Weight:
281.3754
IUPAC Name:
1-(3-isothiocyanatopyridin-2-yl)-3,3-dimethyl-2H-indole
InChI:
InChI=1S/C16H15N3S/c1-16(2)10-19(14-8-4-3-6-12(14)16)15-13(18-11-20)7-5-9-17-15/h3-9H,10H2,1-2H3
InChI Key:
GEJRFGVSADVSQE-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccnc1N1CC(c2c1cccc2)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.377g/mol
Monoisotopic Mass:
281.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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