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70447-25-5 | 1-ethenyl-3-ethenylsulfanyl-indole
CAS No: 70447-25-5 Catalog No: AG005IWE MDL No:
Product Description
Catalog Number:
AG005IWE
Chemical Name:
1-ethenyl-3-ethenylsulfanyl-indole
CAS Number:
70447-25-5
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
IUPAC Name:
1-ethenyl-3-ethenylsulfanylindole
InChI:
InChI=1S/C12H11NS/c1-3-13-9-12(14-4-2)10-7-5-6-8-11(10)13/h3-9H,1-2H2
InChI Key:
MLKWTDGMRZIFGM-UHFFFAOYSA-N
SMILES:
C=CSc1cn(c2c1cccc2)C=C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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