3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole

C17H17NS — CID 90957082

IUPAC3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole
SMILESCCc1ccccc1Sc1c[nH]c2c(C)cccc12
InChIInChI=1S/C17H17NS/c1-3-13-8-4-5-10-15(13)19-16-11-18-17-12(2)7-6-9-14(16)17/h4-11,18H,3H2,1-2H3
InChIKeyCZUFDGFNQCCTKD-UHFFFAOYSA-N
MW267.40 g/mol
LogP5.19
Rot. Bonds3

About 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole

3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole (PubChem CID 90957082) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole.

Molecular Properties

Compound Name3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole
PubChem CID90957082
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole
SMILESCCc1ccccc1Sc1c[nH]c2c(C)cccc12
InChIInChI=1S/C17H17NS/c1-3-13-8-4-5-10-15(13)19-16-11-18-17-12(2)7-6-9-14(16)17/h4-11,18H,3H2,1-2H3
InChIKeyCZUFDGFNQCCTKD-UHFFFAOYSA-N
XLogP5.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine
CID 67018414
1-ethyl-2-(2-ethylphenyl)sulfanylbenzene
CID 19792412
7-ethyl-3-methyl-1H-indole
CID 13271010
4-bromo-3-(2-ethylphenyl)sulfanyl-1H-indole
CID 91609343
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
1-[4-chloro-2-[(7-ethyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 67018355
2-[(2-ethylphenyl)disulfanyl]-1,3-dimethylbenzene
CID 57200216
(7-ethyl-1H-indol-3-yl)-(2-methylphenyl)methanone
CID 43339331
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149
1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
CID 11818392
7-methyl-3-(2-methylpentan-3-yl)-1H-indole
CID 106985199
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole?
The IUPAC name of 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole (CID 90957082) is 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole.
What is the SMILES notation for 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole?
The canonical SMILES for 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole is CCc1ccccc1Sc1c[nH]c2c(C)cccc12.
What is the InChIKey of 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole?
The InChIKey is CZUFDGFNQCCTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-3-13-8-4-5-10-15(13)19-16-11-18-17-12(2)7-6-9-14(16)17/h4-11,18H,3H2,1-2H3.
What are the key properties of 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole?
3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole has a molecular weight of 267.40 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)sulfanyl-7-methyl-1H-indole is sourced from PubChem (CID 90957082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).