2-(1H-indol-3-yl)thiochromen-4-one

C17H11NOS — CID 54116167

IUPAC2-(1H-indol-3-yl)thiochromen-4-one
SMILESO=c1cc(-c2c[nH]c3ccccc23)sc2ccccc12
InChIInChI=1S/C17H11NOS/c19-15-9-17(20-16-8-4-2-6-12(15)16)13-10-18-14-7-3-1-5-11(13)14/h1-10,18H
InChIKeyNKMSNRPOWPPQAX-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.41
Rot. Bonds1

About 2-(1H-indol-3-yl)thiochromen-4-one

2-(1H-indol-3-yl)thiochromen-4-one (PubChem CID 54116167) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)thiochromen-4-one.

Molecular Properties

Compound Name2-(1H-indol-3-yl)thiochromen-4-one
PubChem CID54116167
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name2-(1H-indol-3-yl)thiochromen-4-one
SMILESO=c1cc(-c2c[nH]c3ccccc23)sc2ccccc12
InChIInChI=1S/C17H11NOS/c19-15-9-17(20-16-8-4-2-6-12(15)16)13-10-18-14-7-3-1-5-11(13)14/h1-10,18H
InChIKeyNKMSNRPOWPPQAX-UHFFFAOYSA-N
XLogP4.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-4,5-dimethoxyphenyl)thiochromen-4-one
CID 101013886
2-(furan-2-yl)thiochromen-4-one
CID 154715436
5-(1H-indol-3-yl)thiophene-3-carboxylic acid
CID 82478024
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole
CID 163516113
4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
CID 127051436
7-chloro-4-(1H-indol-3-yl)-1H-quinolin-2-one
CID 138961466
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
4-(2,5-dichlorothiophen-3-yl)-6-(1H-indol-3-yl)-5H-pyrimidin-2-one
CID 137178283
methane;3-phenyl-1H-indole
CID 167711687
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
4-(1H-indol-3-yl)thiophen-2-amine
CID 82393986

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)thiochromen-4-one?
The IUPAC name of 2-(1H-indol-3-yl)thiochromen-4-one (CID 54116167) is 2-(1H-indol-3-yl)thiochromen-4-one.
What is the SMILES notation for 2-(1H-indol-3-yl)thiochromen-4-one?
The canonical SMILES for 2-(1H-indol-3-yl)thiochromen-4-one is O=c1cc(-c2c[nH]c3ccccc23)sc2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)thiochromen-4-one?
The InChIKey is NKMSNRPOWPPQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c19-15-9-17(20-16-8-4-2-6-12(15)16)13-10-18-14-7-3-1-5-11(13)14/h1-10,18H.
What are the key properties of 2-(1H-indol-3-yl)thiochromen-4-one?
2-(1H-indol-3-yl)thiochromen-4-one has a molecular weight of 277.35 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)thiochromen-4-one is sourced from PubChem (CID 54116167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).