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105644-13-1 | Benzenethiol, 2-[2-(3,3-dimethyl-3H-indol-2-yl)ethenyl]-
CAS No: 105644-13-1 Catalog No: AG0084F4 MDL No:
Product Description
Catalog Number:
AG0084F4
Chemical Name:
Benzenethiol, 2-[2-(3,3-dimethyl-3H-indol-2-yl)ethenyl]-
CAS Number:
105644-13-1
Molecular Formula:
C18H17NS
Molecular Weight:
279.3993
IUPAC Name:
2-[2-(3,3-dimethylindol-2-yl)ethenyl]benzenethiol
InChI:
InChI=1S/C18H17NS/c1-18(2)14-8-4-5-9-15(14)19-17(18)12-11-13-7-3-6-10-16(13)20/h3-12,20H,1-2H3
InChI Key:
BVBRTPFWVOMDPJ-UHFFFAOYSA-N
SMILES:
Sc1ccccc1C=CC1=Nc2c(C1(C)C)cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.401g/mol
Monoisotopic Mass:
279.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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