6-chloro-1-methyl-3-(methylsulfanylmethyl)indole

C11H12ClNS — CID 117178628

IUPAC6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
SMILESCSCc1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C11H12ClNS/c1-13-6-8(7-14-2)10-4-3-9(12)5-11(10)13/h3-6H,7H2,1-2H3
InChIKeyXSSVFCKHIMFROA-UHFFFAOYSA-N
MW225.74 g/mol
LogP3.69
Rot. Bonds2

About 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole

6-chloro-1-methyl-3-(methylsulfanylmethyl)indole (PubChem CID 117178628) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole.

Molecular Properties

Compound Name6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
PubChem CID117178628
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name6-chloro-1-methyl-3-(methylsulfanylmethyl)indole
SMILESCSCc1cn(C)c2cc(Cl)ccc12
InChIInChI=1S/C11H12ClNS/c1-13-6-8(7-14-2)10-4-3-9(12)5-11(10)13/h3-6H,7H2,1-2H3
InChIKeyXSSVFCKHIMFROA-UHFFFAOYSA-N
XLogP3.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole?
The IUPAC name of 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole (CID 117178628) is 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole.
What is the SMILES notation for 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole?
The canonical SMILES for 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole is CSCc1cn(C)c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole?
The InChIKey is XSSVFCKHIMFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS/c1-13-6-8(7-14-2)10-4-3-9(12)5-11(10)13/h3-6H,7H2,1-2H3.
What are the key properties of 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole?
6-chloro-1-methyl-3-(methylsulfanylmethyl)indole has a molecular weight of 225.74 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-3-(methylsulfanylmethyl)indole is sourced from PubChem (CID 117178628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).