(1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol

C12H10O2S — CID 5460102

IUPAC(1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol
SMILESO[C@@H]1c2c(sc3ccccc23)C=C[C@@H]1O
InChIInChI=1S/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H/t8-,12-/m0/s1
InChIKeyOOOXLVUNFHBSNL-UFBFGSQYSA-N
MW218.28 g/mol
LogP2.32
Rot. Bonds

About (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol

(1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol (PubChem CID 5460102) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol.

Molecular Properties

Compound Name(1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol
PubChem CID5460102
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name(1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol
SMILESO[C@@H]1c2c(sc3ccccc23)C=C[C@@H]1O
InChIInChI=1S/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H/t8-,12-/m0/s1
InChIKeyOOOXLVUNFHBSNL-UFBFGSQYSA-N
XLogP2.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol?
The IUPAC name of (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol (CID 5460102) is (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol.
What is the SMILES notation for (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol?
The canonical SMILES for (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol is O[C@@H]1c2c(sc3ccccc23)C=C[C@@H]1O.
What is the InChIKey of (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol?
The InChIKey is OOOXLVUNFHBSNL-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H/t8-,12-/m0/s1.
What are the key properties of (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol?
(1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol has a molecular weight of 218.28 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-dihydrodibenzothiophene-1,2-diol is sourced from PubChem (CID 5460102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).