5-chloro-3-(ethylsulfanylmethyl)-1H-indole

C11H12ClNS — CID 57132711

IUPAC5-chloro-3-(ethylsulfanylmethyl)-1H-indole
SMILESCCSCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H12ClNS/c1-2-14-7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,2,7H2,1H3
InChIKeyCVTFRWWCSBDQID-UHFFFAOYSA-N
MW225.74 g/mol
LogP4.07
Rot. Bonds3

About 5-chloro-3-(ethylsulfanylmethyl)-1H-indole

5-chloro-3-(ethylsulfanylmethyl)-1H-indole (PubChem CID 57132711) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is 5-chloro-3-(ethylsulfanylmethyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(ethylsulfanylmethyl)-1H-indole
PubChem CID57132711
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name5-chloro-3-(ethylsulfanylmethyl)-1H-indole
SMILESCCSCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C11H12ClNS/c1-2-14-7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,2,7H2,1H3
InChIKeyCVTFRWWCSBDQID-UHFFFAOYSA-N
XLogP4.07
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 57138871
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
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1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
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3-(5-chloro-1H-indol-3-yl)-N-ethylpropan-1-amine
CID 96674281
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
4-(5-chloro-1H-indol-3-yl)butane-1,2-diamine
CID 57176365
2-(5-chloro-1H-indol-3-yl)ethyl-propan-2-ylazanium;ethane
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4-chloro-2-(ethylsulfanylmethyl)-1-fluorobenzene
CID 126990340

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(ethylsulfanylmethyl)-1H-indole?
The IUPAC name of 5-chloro-3-(ethylsulfanylmethyl)-1H-indole (CID 57132711) is 5-chloro-3-(ethylsulfanylmethyl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(ethylsulfanylmethyl)-1H-indole?
The canonical SMILES for 5-chloro-3-(ethylsulfanylmethyl)-1H-indole is CCSCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-(ethylsulfanylmethyl)-1H-indole?
The InChIKey is CVTFRWWCSBDQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS/c1-2-14-7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,2,7H2,1H3.
What are the key properties of 5-chloro-3-(ethylsulfanylmethyl)-1H-indole?
5-chloro-3-(ethylsulfanylmethyl)-1H-indole has a molecular weight of 225.74 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(ethylsulfanylmethyl)-1H-indole is sourced from PubChem (CID 57132711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).