4,6-dichloro-1-(2-methylsulfanylethyl)indole

C11H11Cl2NS — CID 103428339

IUPAC4,6-dichloro-1-(2-methylsulfanylethyl)indole
SMILESCSCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H11Cl2NS/c1-15-5-4-14-3-2-9-10(13)6-8(12)7-11(9)14/h2-3,6-7H,4-5H2,1H3
InChIKeyASYWGCQJEFGQFE-UHFFFAOYSA-N
MW260.19 g/mol
LogP4.31
Rot. Bonds3

About 4,6-dichloro-1-(2-methylsulfanylethyl)indole

4,6-dichloro-1-(2-methylsulfanylethyl)indole (PubChem CID 103428339) has the molecular formula C11H11Cl2NS and a molecular weight of 260.19 g/mol. Its IUPAC name is 4,6-dichloro-1-(2-methylsulfanylethyl)indole.

Molecular Properties

Compound Name4,6-dichloro-1-(2-methylsulfanylethyl)indole
PubChem CID103428339
Molecular FormulaC11H11Cl2NS
Molecular Weight260.19 g/mol
Exact Mass259.00
IUPAC Name4,6-dichloro-1-(2-methylsulfanylethyl)indole
SMILESCSCCn1ccc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C11H11Cl2NS/c1-15-5-4-14-3-2-9-10(13)6-8(12)7-11(9)14/h2-3,6-7H,4-5H2,1H3
InChIKeyASYWGCQJEFGQFE-UHFFFAOYSA-N
XLogP4.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dichloro-1-(2-methylsulfonylethyl)indole
CID 103428479
4,6-dichloro-1-pent-3-ynylindole
CID 103428441
4,6-dichloro-1-(3-ethylsulfonylpropyl)indole
CID 103428287
4,6-dichloro-1-[(4-ethylphenyl)methyl]indole
CID 103428167
5-(4,6-dichloroindol-1-yl)pentanenitrile
CID 103428162
4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
CID 103428177
N-[2-(4,6-dichloroindol-1-yl)ethyl]aniline
CID 103428075
4,6-dichloro-1-[(2,6-dichlorophenyl)methyl]indole
CID 103428456
4,6-dichloro-1-[(4-iodophenyl)methyl]indole
CID 103428355
4,6-dichloro-1-[(5-methylfuran-2-yl)methyl]indole
CID 103428232
2-(4,6-dichloroindol-1-yl)-N,N-dimethylacetamide
CID 103428458
2-(4,6-dichloroindol-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 103427962

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1-(2-methylsulfanylethyl)indole?
The IUPAC name of 4,6-dichloro-1-(2-methylsulfanylethyl)indole (CID 103428339) is 4,6-dichloro-1-(2-methylsulfanylethyl)indole.
What is the SMILES notation for 4,6-dichloro-1-(2-methylsulfanylethyl)indole?
The canonical SMILES for 4,6-dichloro-1-(2-methylsulfanylethyl)indole is CSCCn1ccc2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-1-(2-methylsulfanylethyl)indole?
The InChIKey is ASYWGCQJEFGQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NS/c1-15-5-4-14-3-2-9-10(13)6-8(12)7-11(9)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 4,6-dichloro-1-(2-methylsulfanylethyl)indole?
4,6-dichloro-1-(2-methylsulfanylethyl)indole has a molecular weight of 260.19 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-(2-methylsulfanylethyl)indole is sourced from PubChem (CID 103428339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).