1-ethenyl-3-ethenylsulfanylindole

C12H11NS — CID 3053823

IUPAC1-ethenyl-3-ethenylsulfanylindole
SMILESC=CSc1cn(C=C)c2ccccc12
InChIInChI=1S/C12H11NS/c1-3-13-9-12(14-4-2)10-7-5-6-8-11(10)13/h3-9H,1-2H2
InChIKeyMLKWTDGMRZIFGM-UHFFFAOYSA-N
MW201.29 g/mol
LogP3.98
Rot. Bonds3

About 1-ethenyl-3-ethenylsulfanylindole

1-ethenyl-3-ethenylsulfanylindole (PubChem CID 3053823) has the molecular formula C12H11NS and a molecular weight of 201.29 g/mol. Its IUPAC name is 1-ethenyl-3-ethenylsulfanylindole.

Molecular Properties

Compound Name1-ethenyl-3-ethenylsulfanylindole
PubChem CID3053823
Molecular FormulaC12H11NS
Molecular Weight201.29 g/mol
Exact Mass201.06
IUPAC Name1-ethenyl-3-ethenylsulfanylindole
SMILESC=CSc1cn(C=C)c2ccccc12
InChIInChI=1S/C12H11NS/c1-3-13-9-12(14-4-2)10-7-5-6-8-11(10)13/h3-9H,1-2H2
InChIKeyMLKWTDGMRZIFGM-UHFFFAOYSA-N
XLogP3.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-ethenylsulfanylindole?
The IUPAC name of 1-ethenyl-3-ethenylsulfanylindole (CID 3053823) is 1-ethenyl-3-ethenylsulfanylindole.
What is the SMILES notation for 1-ethenyl-3-ethenylsulfanylindole?
The canonical SMILES for 1-ethenyl-3-ethenylsulfanylindole is C=CSc1cn(C=C)c2ccccc12.
What is the InChIKey of 1-ethenyl-3-ethenylsulfanylindole?
The InChIKey is MLKWTDGMRZIFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS/c1-3-13-9-12(14-4-2)10-7-5-6-8-11(10)13/h3-9H,1-2H2.
What are the key properties of 1-ethenyl-3-ethenylsulfanylindole?
1-ethenyl-3-ethenylsulfanylindole has a molecular weight of 201.29 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-ethenylsulfanylindole is sourced from PubChem (CID 3053823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).