6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione

C12H7NO2S2 — CID 43586504

IUPAC6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3cccs3)ccc2C1=O
InChIInChI=1S/C12H7NO2S2/c14-11-8-4-3-7(6-9(8)13-12(11)15)17-10-2-1-5-16-10/h1-6H,(H,13,14,15)
InChIKeyDXXYEDZQTCHRCM-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.03
Rot. Bonds2

About 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione

6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione (PubChem CID 43586504) has the molecular formula C12H7NO2S2 and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione
PubChem CID43586504
Molecular FormulaC12H7NO2S2
Molecular Weight261.33 g/mol
Exact Mass260.99
IUPAC Name6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3cccs3)ccc2C1=O
InChIInChI=1S/C12H7NO2S2/c14-11-8-4-3-7(6-9(8)13-12(11)15)17-10-2-1-5-16-10/h1-6H,(H,13,14,15)
InChIKeyDXXYEDZQTCHRCM-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-thiophen-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 43586965
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1H-indole-2,3-dione
CID 106923052
bis(1H-indole-2,3-dione);thieno[3,2-b]thiophene
CID 158279333
1H-indole-2,3-dione;methylsulfinylmethane
CID 89487830
1-(2-amino-4-thiophen-2-ylsulfanylphenyl)ethanone
CID 104529425
2-(4-nitrophenyl)sulfanylthiophene
CID 51063980
copper;1H-indole-2,3-dione
CID 70626411
3-fluoro-5-thiophen-2-ylsulfanylbenzaldehyde
CID 106533578
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
CID 63813796
N-methyl-3-thiophen-2-ylsulfanylaniline
CID 117033150
5-bromo-6-(3,4-dichlorophenyl)sulfanyl-1H-indole-2,3-dione
CID 79343676
6-(3,4-dimethylphenyl)sulfanyl-5-fluoro-1H-indole-2,3-dione
CID 80746940

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione?
The IUPAC name of 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione (CID 43586504) is 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione.
What is the SMILES notation for 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione?
The canonical SMILES for 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione is O=C1Nc2cc(Sc3cccs3)ccc2C1=O.
What is the InChIKey of 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione?
The InChIKey is DXXYEDZQTCHRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2S2/c14-11-8-4-3-7(6-9(8)13-12(11)15)17-10-2-1-5-16-10/h1-6H,(H,13,14,15).
What are the key properties of 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione?
6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione has a molecular weight of 261.33 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-ylsulfanyl-1H-indole-2,3-dione is sourced from PubChem (CID 43586504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).