2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione

C15H8O4S — CID 101153318

IUPAC2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione
SMILESO=C1c2ccc3sc4ccccc4c3c2C(=O)C1(O)O
InChIInChI=1S/C15H8O4S/c16-13-8-5-6-10-11(12(8)14(17)15(13,18)19)7-3-1-2-4-9(7)20-10/h1-6,18-19H
InChIKeyHPDCFDGTDBPILQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.11
Rot. Bonds

About 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione

2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione (PubChem CID 101153318) has the molecular formula C15H8O4S and a molecular weight of 284.29 g/mol. Its IUPAC name is 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione.

Molecular Properties

Compound Name2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione
PubChem CID101153318
Molecular FormulaC15H8O4S
Molecular Weight284.29 g/mol
Exact Mass284.01
IUPAC Name2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione
SMILESO=C1c2ccc3sc4ccccc4c3c2C(=O)C1(O)O
InChIInChI=1S/C15H8O4S/c16-13-8-5-6-10-11(12(8)14(17)15(13,18)19)7-3-1-2-4-9(7)20-10/h1-6,18-19H
InChIKeyHPDCFDGTDBPILQ-UHFFFAOYSA-N
XLogP2.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxydibenzothiophen-1-yl)dibenzothiophen-2-ol
CID 142742371
azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene
CID 146525628
1-phenyl-2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 174292374
CID 134272865
CID 134272865
12,12-dimethylfluoreno[2,1-b][1]benzothiole
CID 164804096
2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]pyridine
CID 175869357
12H-fluoreno[2,1-b][1]benzothiole
CID 122434434
12,29,46-trithia-3,20,37-triazatridecacyclo[34.15.0.02,18.04,16.05,13.06,11.019,35.021,33.022,30.023,28.038,50.039,47.040,45]henpentaconta-1,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31,35,38(50),39(47),40,42,44,48-henicosaene-17,34,51-trione
CID 142384547
1-chloro-2-hydroxythioxanthen-9-one
CID 54045357
1-methyldibenzothiophene
CID 23839
1-phenyldibenzothiophene;hydrobromide
CID 174679709
dibenzothiophene;formaldehyde
CID 20556925

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione?
The IUPAC name of 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione (CID 101153318) is 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione.
What is the SMILES notation for 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione?
The canonical SMILES for 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione is O=C1c2ccc3sc4ccccc4c3c2C(=O)C1(O)O.
What is the InChIKey of 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione?
The InChIKey is HPDCFDGTDBPILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8O4S/c16-13-8-5-6-10-11(12(8)14(17)15(13,18)19)7-3-1-2-4-9(7)20-10/h1-6,18-19H.
What are the key properties of 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione?
2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione has a molecular weight of 284.29 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxyindeno[5,4-b][1]benzothiole-1,3-dione is sourced from PubChem (CID 101153318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).