6-methyl-1-(5-methylthiophen-3-yl)indole

C14H13NS — CID 70851536

IUPAC6-methyl-1-(5-methylthiophen-3-yl)indole
SMILESCc1ccc2ccn(-c3csc(C)c3)c2c1
InChIInChI=1S/C14H13NS/c1-10-3-4-12-5-6-15(14(12)7-10)13-8-11(2)16-9-13/h3-9H,1-2H3
InChIKeyXQCOPCGTIDBSSD-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.31
Rot. Bonds1

About 6-methyl-1-(5-methylthiophen-3-yl)indole

6-methyl-1-(5-methylthiophen-3-yl)indole (PubChem CID 70851536) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 6-methyl-1-(5-methylthiophen-3-yl)indole.

Molecular Properties

Compound Name6-methyl-1-(5-methylthiophen-3-yl)indole
PubChem CID70851536
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name6-methyl-1-(5-methylthiophen-3-yl)indole
SMILESCc1ccc2ccn(-c3csc(C)c3)c2c1
InChIInChI=1S/C14H13NS/c1-10-3-4-12-5-6-15(14(12)7-10)13-8-11(2)16-9-13/h3-9H,1-2H3
InChIKeyXQCOPCGTIDBSSD-UHFFFAOYSA-N
XLogP4.31
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(5-methylthiophen-3-yl)indole?
The IUPAC name of 6-methyl-1-(5-methylthiophen-3-yl)indole (CID 70851536) is 6-methyl-1-(5-methylthiophen-3-yl)indole.
What is the SMILES notation for 6-methyl-1-(5-methylthiophen-3-yl)indole?
The canonical SMILES for 6-methyl-1-(5-methylthiophen-3-yl)indole is Cc1ccc2ccn(-c3csc(C)c3)c2c1.
What is the InChIKey of 6-methyl-1-(5-methylthiophen-3-yl)indole?
The InChIKey is XQCOPCGTIDBSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-10-3-4-12-5-6-15(14(12)7-10)13-8-11(2)16-9-13/h3-9H,1-2H3.
What are the key properties of 6-methyl-1-(5-methylthiophen-3-yl)indole?
6-methyl-1-(5-methylthiophen-3-yl)indole has a molecular weight of 227.33 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(5-methylthiophen-3-yl)indole is sourced from PubChem (CID 70851536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).