4-chloro-2-(methylsulfanylmethyl)-1H-indole

C10H10ClNS — CID 117173429

IUPAC4-chloro-2-(methylsulfanylmethyl)-1H-indole
SMILESCSCc1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C10H10ClNS/c1-13-6-7-5-8-9(11)3-2-4-10(8)12-7/h2-5,12H,6H2,1H3
InChIKeySMLGLBWGPOISMG-UHFFFAOYSA-N
MW211.72 g/mol
LogP3.68
Rot. Bonds2

About 4-chloro-2-(methylsulfanylmethyl)-1H-indole

4-chloro-2-(methylsulfanylmethyl)-1H-indole (PubChem CID 117173429) has the molecular formula C10H10ClNS and a molecular weight of 211.72 g/mol. Its IUPAC name is 4-chloro-2-(methylsulfanylmethyl)-1H-indole.

Molecular Properties

Compound Name4-chloro-2-(methylsulfanylmethyl)-1H-indole
PubChem CID117173429
Molecular FormulaC10H10ClNS
Molecular Weight211.72 g/mol
Exact Mass211.02
IUPAC Name4-chloro-2-(methylsulfanylmethyl)-1H-indole
SMILESCSCc1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C10H10ClNS/c1-13-6-7-5-8-9(11)3-2-4-10(8)12-7/h2-5,12H,6H2,1H3
InChIKeySMLGLBWGPOISMG-UHFFFAOYSA-N
XLogP3.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methylsulfanylmethyl)-1H-indole?
The IUPAC name of 4-chloro-2-(methylsulfanylmethyl)-1H-indole (CID 117173429) is 4-chloro-2-(methylsulfanylmethyl)-1H-indole.
What is the SMILES notation for 4-chloro-2-(methylsulfanylmethyl)-1H-indole?
The canonical SMILES for 4-chloro-2-(methylsulfanylmethyl)-1H-indole is CSCc1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-2-(methylsulfanylmethyl)-1H-indole?
The InChIKey is SMLGLBWGPOISMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNS/c1-13-6-7-5-8-9(11)3-2-4-10(8)12-7/h2-5,12H,6H2,1H3.
What are the key properties of 4-chloro-2-(methylsulfanylmethyl)-1H-indole?
4-chloro-2-(methylsulfanylmethyl)-1H-indole has a molecular weight of 211.72 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methylsulfanylmethyl)-1H-indole is sourced from PubChem (CID 117173429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).