3-(6-methyl-2H-thiochromen-4-yl)-1H-indole

C18H15NS — CID 71680209

IUPAC3-(6-methyl-2H-thiochromen-4-yl)-1H-indole
SMILESCc1ccc2c(c1)C(c1c[nH]c3ccccc13)=CCS2
InChIInChI=1S/C18H15NS/c1-12-6-7-18-15(10-12)13(8-9-20-18)16-11-19-17-5-3-2-4-14(16)17/h2-8,10-11,19H,9H2,1H3
InChIKeySXGUNRGMHDLDSJ-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.01
Rot. Bonds1

About 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole

3-(6-methyl-2H-thiochromen-4-yl)-1H-indole (PubChem CID 71680209) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(6-methyl-2H-thiochromen-4-yl)-1H-indole
PubChem CID71680209
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name3-(6-methyl-2H-thiochromen-4-yl)-1H-indole
SMILESCc1ccc2c(c1)C(c1c[nH]c3ccccc13)=CCS2
InChIInChI=1S/C18H15NS/c1-12-6-7-18-15(10-12)13(8-9-20-18)16-11-19-17-5-3-2-4-14(16)17/h2-8,10-11,19H,9H2,1H3
InChIKeySXGUNRGMHDLDSJ-UHFFFAOYSA-N
XLogP5.01
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole?
The IUPAC name of 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole (CID 71680209) is 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole.
What is the SMILES notation for 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole?
The canonical SMILES for 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole is Cc1ccc2c(c1)C(c1c[nH]c3ccccc13)=CCS2.
What is the InChIKey of 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole?
The InChIKey is SXGUNRGMHDLDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-12-6-7-18-15(10-12)13(8-9-20-18)16-11-19-17-5-3-2-4-14(16)17/h2-8,10-11,19H,9H2,1H3.
What are the key properties of 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole?
3-(6-methyl-2H-thiochromen-4-yl)-1H-indole has a molecular weight of 277.39 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2H-thiochromen-4-yl)-1H-indole is sourced from PubChem (CID 71680209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).