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Home > Indoles and Oxindole > 98983-46-1
98983-46-1 | 1H-INDOLE, 1-ETHYL-3-(ETHYLTHIO)-
CAS No: 98983-46-1 Catalog No: AG006PK4 MDL No:
Product Description
Catalog Number:
AG006PK4
Chemical Name:
1H-INDOLE, 1-ETHYL-3-(ETHYLTHIO)-
CAS Number:
98983-46-1
Molecular Formula:
C12H15NS
Molecular Weight:
205.3192
IUPAC Name:
1-ethyl-3-ethylsulfanylindole
InChI:
InChI=1S/C12H15NS/c1-3-13-9-12(14-4-2)10-7-5-6-8-11(10)13/h5-9H,3-4H2,1-2H3
InChI Key:
CACKJCYLFIPFCE-UHFFFAOYSA-N
SMILES:
CCSc1cn(c2c1cccc2)CC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.319g/mol
Monoisotopic Mass:
205.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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