3,5-dibromo-1-benzothiophen-4-ol

C8H4Br2OS — CID 131138178

IUPAC3,5-dibromo-1-benzothiophen-4-ol
SMILESOc1c(Br)ccc2scc(Br)c12
InChIInChI=1S/C8H4Br2OS/c9-4-1-2-6-7(8(4)11)5(10)3-12-6/h1-3,11H
InChIKeySNWUZCMCJUHDIF-UHFFFAOYSA-N
MW307.99 g/mol
LogP4.13
Rot. Bonds

About 3,5-dibromo-1-benzothiophen-4-ol

3,5-dibromo-1-benzothiophen-4-ol (PubChem CID 131138178) has the molecular formula C8H4Br2OS and a molecular weight of 307.99 g/mol. Its IUPAC name is 3,5-dibromo-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3,5-dibromo-1-benzothiophen-4-ol
PubChem CID131138178
Molecular FormulaC8H4Br2OS
Molecular Weight307.99 g/mol
Exact Mass305.83
IUPAC Name3,5-dibromo-1-benzothiophen-4-ol
SMILESOc1c(Br)ccc2scc(Br)c12
InChIInChI=1S/C8H4Br2OS/c9-4-1-2-6-7(8(4)11)5(10)3-12-6/h1-3,11H
InChIKeySNWUZCMCJUHDIF-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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Related Compounds

5-bromo-3-iodo-1-benzothiophen-4-ol
CID 130901172
3-bromo-5-methoxy-1-benzothiophen-4-ol
CID 131034350
3-bromo-4,5-dimethyl-1-benzothiophene
CID 82387657
4-bromo-3-methyl-1-benzothiophen-5-ol
CID 131096785
3,5-dimethyl-1-benzothiophen-4-ol
CID 91882001
3-bromo-4-(bromomethyl)-5-iodo-1-benzothiophene
CID 130821086
3,4-dibromo-5-nitro-1-benzothiophene
CID 130839670
3-(bromomethyl)-5-chloro-1-benzothiophen-4-ol
CID 130792713
5-bromo-3-(bromomethyl)-4-iodo-1-benzothiophene
CID 130901201
3-bromo-4-chlorothieno[3,2-c]pyridine
CID 18450773
5-bromo-4-chloro-1-benzothiophene-3-carbonitrile
CID 130820869
2-bromonaphthalene-1,8-diol
CID 23297382

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-benzothiophen-4-ol?
The IUPAC name of 3,5-dibromo-1-benzothiophen-4-ol (CID 131138178) is 3,5-dibromo-1-benzothiophen-4-ol.
What is the SMILES notation for 3,5-dibromo-1-benzothiophen-4-ol?
The canonical SMILES for 3,5-dibromo-1-benzothiophen-4-ol is Oc1c(Br)ccc2scc(Br)c12.
What is the InChIKey of 3,5-dibromo-1-benzothiophen-4-ol?
The InChIKey is SNWUZCMCJUHDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2OS/c9-4-1-2-6-7(8(4)11)5(10)3-12-6/h1-3,11H.
What are the key properties of 3,5-dibromo-1-benzothiophen-4-ol?
3,5-dibromo-1-benzothiophen-4-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 3,5-dibromo-1-benzothiophen-4-ol is sourced from PubChem (CID 131138178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).