6-methylsulfanyl-1H-indole

C9H9NS — CID 19848917

IUPAC6-methylsulfanyl-1H-indole
SMILESCSc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H9NS/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3
InChIKeyXBTHQAKYJGTLRT-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.89
Rot. Bonds1

About 6-methylsulfanyl-1H-indole

6-methylsulfanyl-1H-indole (PubChem CID 19848917) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 6-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name6-methylsulfanyl-1H-indole
PubChem CID19848917
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name6-methylsulfanyl-1H-indole
SMILESCSc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H9NS/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3
InChIKeyXBTHQAKYJGTLRT-UHFFFAOYSA-N
XLogP2.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1H-indole?
The IUPAC name of 6-methylsulfanyl-1H-indole (CID 19848917) is 6-methylsulfanyl-1H-indole.
What is the SMILES notation for 6-methylsulfanyl-1H-indole?
The canonical SMILES for 6-methylsulfanyl-1H-indole is CSc1ccc2cc[nH]c2c1.
What is the InChIKey of 6-methylsulfanyl-1H-indole?
The InChIKey is XBTHQAKYJGTLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3.
What are the key properties of 6-methylsulfanyl-1H-indole?
6-methylsulfanyl-1H-indole has a molecular weight of 163.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1H-indole is sourced from PubChem (CID 19848917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).