5,7-dibromo-1-benzothiophen-2-ol

C8H4Br2OS — CID 131059860

IUPAC5,7-dibromo-1-benzothiophen-2-ol
SMILESOc1cc2cc(Br)cc(Br)c2s1
InChIInChI=1S/C8H4Br2OS/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,11H
InChIKeyFBUOSJCKRDRQFO-UHFFFAOYSA-N
MW307.99 g/mol
LogP4.13
Rot. Bonds

About 5,7-dibromo-1-benzothiophen-2-ol

5,7-dibromo-1-benzothiophen-2-ol (PubChem CID 131059860) has the molecular formula C8H4Br2OS and a molecular weight of 307.99 g/mol. Its IUPAC name is 5,7-dibromo-1-benzothiophen-2-ol.

Molecular Properties

Compound Name5,7-dibromo-1-benzothiophen-2-ol
PubChem CID131059860
Molecular FormulaC8H4Br2OS
Molecular Weight307.99 g/mol
Exact Mass305.83
IUPAC Name5,7-dibromo-1-benzothiophen-2-ol
SMILESOc1cc2cc(Br)cc(Br)c2s1
InChIInChI=1S/C8H4Br2OS/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,11H
InChIKeyFBUOSJCKRDRQFO-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.99
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-1-benzothiophen-2-ol?
The IUPAC name of 5,7-dibromo-1-benzothiophen-2-ol (CID 131059860) is 5,7-dibromo-1-benzothiophen-2-ol.
What is the SMILES notation for 5,7-dibromo-1-benzothiophen-2-ol?
The canonical SMILES for 5,7-dibromo-1-benzothiophen-2-ol is Oc1cc2cc(Br)cc(Br)c2s1.
What is the InChIKey of 5,7-dibromo-1-benzothiophen-2-ol?
The InChIKey is FBUOSJCKRDRQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2OS/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,11H.
What are the key properties of 5,7-dibromo-1-benzothiophen-2-ol?
5,7-dibromo-1-benzothiophen-2-ol has a molecular weight of 307.99 g/mol, XLogP of 4.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-1-benzothiophen-2-ol is sourced from PubChem (CID 131059860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).