4,6-dibromo-1-benzothiophen-5-ol

C8H4Br2OS — CID 59580169

IUPAC4,6-dibromo-1-benzothiophen-5-ol
SMILESOc1c(Br)cc2sccc2c1Br
InChIInChI=1S/C8H4Br2OS/c9-5-3-6-4(1-2-12-6)7(10)8(5)11/h1-3,11H
InChIKeyJWMRMNGLSAVOKR-UHFFFAOYSA-N
MW307.99 g/mol
LogP4.13
Rot. Bonds

About 4,6-dibromo-1-benzothiophen-5-ol

4,6-dibromo-1-benzothiophen-5-ol (PubChem CID 59580169) has the molecular formula C8H4Br2OS and a molecular weight of 307.99 g/mol. Its IUPAC name is 4,6-dibromo-1-benzothiophen-5-ol.

Molecular Properties

Compound Name4,6-dibromo-1-benzothiophen-5-ol
PubChem CID59580169
Molecular FormulaC8H4Br2OS
Molecular Weight307.99 g/mol
Exact Mass305.83
IUPAC Name4,6-dibromo-1-benzothiophen-5-ol
SMILESOc1c(Br)cc2sccc2c1Br
InChIInChI=1S/C8H4Br2OS/c9-5-3-6-4(1-2-12-6)7(10)8(5)11/h1-3,11H
InChIKeyJWMRMNGLSAVOKR-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 4,6-dibromo-1-benzothiophen-5-ol?
The IUPAC name of 4,6-dibromo-1-benzothiophen-5-ol (CID 59580169) is 4,6-dibromo-1-benzothiophen-5-ol.
What is the SMILES notation for 4,6-dibromo-1-benzothiophen-5-ol?
The canonical SMILES for 4,6-dibromo-1-benzothiophen-5-ol is Oc1c(Br)cc2sccc2c1Br.
What is the InChIKey of 4,6-dibromo-1-benzothiophen-5-ol?
The InChIKey is JWMRMNGLSAVOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2OS/c9-5-3-6-4(1-2-12-6)7(10)8(5)11/h1-3,11H.
What are the key properties of 4,6-dibromo-1-benzothiophen-5-ol?
4,6-dibromo-1-benzothiophen-5-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 4,6-dibromo-1-benzothiophen-5-ol is sourced from PubChem (CID 59580169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).