3,7-dibromodibenzothiophene-2,8-diol

C12H6Br2O2S — CID 58849626

IUPAC3,7-dibromodibenzothiophene-2,8-diol
SMILESOc1cc2c(cc1Br)sc1cc(Br)c(O)cc12
InChIInChI=1S/C12H6Br2O2S/c13-7-3-11-5(1-9(7)15)6-2-10(16)8(14)4-12(6)17-11/h1-4,15-16H
InChIKeyVLRXFXRZWGHABL-UHFFFAOYSA-N
MW374.05 g/mol
LogP4.99
Rot. Bonds

About 3,7-dibromodibenzothiophene-2,8-diol

3,7-dibromodibenzothiophene-2,8-diol (PubChem CID 58849626) has the molecular formula C12H6Br2O2S and a molecular weight of 374.05 g/mol. Its IUPAC name is 3,7-dibromodibenzothiophene-2,8-diol.

Molecular Properties

Compound Name3,7-dibromodibenzothiophene-2,8-diol
PubChem CID58849626
Molecular FormulaC12H6Br2O2S
Molecular Weight374.05 g/mol
Exact Mass371.85
IUPAC Name3,7-dibromodibenzothiophene-2,8-diol
SMILESOc1cc2c(cc1Br)sc1cc(Br)c(O)cc12
InChIInChI=1S/C12H6Br2O2S/c13-7-3-11-5(1-9(7)15)6-2-10(16)8(14)4-12(6)17-11/h1-4,15-16H
InChIKeyVLRXFXRZWGHABL-UHFFFAOYSA-N
XLogP4.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.05
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dibromodibenzothiophene-2,8-diol?
The IUPAC name of 3,7-dibromodibenzothiophene-2,8-diol (CID 58849626) is 3,7-dibromodibenzothiophene-2,8-diol.
What is the SMILES notation for 3,7-dibromodibenzothiophene-2,8-diol?
The canonical SMILES for 3,7-dibromodibenzothiophene-2,8-diol is Oc1cc2c(cc1Br)sc1cc(Br)c(O)cc12.
What is the InChIKey of 3,7-dibromodibenzothiophene-2,8-diol?
The InChIKey is VLRXFXRZWGHABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2O2S/c13-7-3-11-5(1-9(7)15)6-2-10(16)8(14)4-12(6)17-11/h1-4,15-16H.
What are the key properties of 3,7-dibromodibenzothiophene-2,8-diol?
3,7-dibromodibenzothiophene-2,8-diol has a molecular weight of 374.05 g/mol, XLogP of 4.99, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromodibenzothiophene-2,8-diol is sourced from PubChem (CID 58849626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).