1,1-dihydroxybenzo[g][1]benzothiole

C12H10O2S — CID 141324669

IUPAC1,1-dihydroxybenzo[g][1]benzothiole
SMILESOS1(O)C=Cc2ccc3ccccc3c21
InChIInChI=1S/C12H10O2S/c13-15(14)8-7-10-6-5-9-3-1-2-4-11(9)12(10)15/h1-8,13-14H
InChIKeyQWQCDRGJUZBJEB-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.93
Rot. Bonds

About 1,1-dihydroxybenzo[g][1]benzothiole

1,1-dihydroxybenzo[g][1]benzothiole (PubChem CID 141324669) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1,1-dihydroxybenzo[g][1]benzothiole.

Molecular Properties

Compound Name1,1-dihydroxybenzo[g][1]benzothiole
PubChem CID141324669
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name1,1-dihydroxybenzo[g][1]benzothiole
SMILESOS1(O)C=Cc2ccc3ccccc3c21
InChIInChI=1S/C12H10O2S/c13-15(14)8-7-10-6-5-9-3-1-2-4-11(9)12(10)15/h1-8,13-14H
InChIKeyQWQCDRGJUZBJEB-UHFFFAOYSA-N
XLogP3.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dihydroxybenzo[g][1]benzothiole?
The IUPAC name of 1,1-dihydroxybenzo[g][1]benzothiole (CID 141324669) is 1,1-dihydroxybenzo[g][1]benzothiole.
What is the SMILES notation for 1,1-dihydroxybenzo[g][1]benzothiole?
The canonical SMILES for 1,1-dihydroxybenzo[g][1]benzothiole is OS1(O)C=Cc2ccc3ccccc3c21.
What is the InChIKey of 1,1-dihydroxybenzo[g][1]benzothiole?
The InChIKey is QWQCDRGJUZBJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-15(14)8-7-10-6-5-9-3-1-2-4-11(9)12(10)15/h1-8,13-14H.
What are the key properties of 1,1-dihydroxybenzo[g][1]benzothiole?
1,1-dihydroxybenzo[g][1]benzothiole has a molecular weight of 218.28 g/mol, XLogP of 3.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dihydroxybenzo[g][1]benzothiole is sourced from PubChem (CID 141324669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).