3-bromo-7-iodo-1-benzothiophene

C8H4BrIS — CID 119083473

IUPAC3-bromo-7-iodo-1-benzothiophene
SMILESBrc1csc2c(I)cccc12
InChIInChI=1S/C8H4BrIS/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H
InChIKeyKPBVIOKKZXEYRK-UHFFFAOYSA-N
MW339.00 g/mol
LogP4.27
Rot. Bonds

About 3-bromo-7-iodo-1-benzothiophene

3-bromo-7-iodo-1-benzothiophene (PubChem CID 119083473) has the molecular formula C8H4BrIS and a molecular weight of 339.00 g/mol. Its IUPAC name is 3-bromo-7-iodo-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-7-iodo-1-benzothiophene
PubChem CID119083473
Molecular FormulaC8H4BrIS
Molecular Weight339.00 g/mol
Exact Mass337.83
IUPAC Name3-bromo-7-iodo-1-benzothiophene
SMILESBrc1csc2c(I)cccc12
InChIInChI=1S/C8H4BrIS/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H
InChIKeyKPBVIOKKZXEYRK-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.00
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-7-iodo-1-benzothiophene
CID 131053401
(7-bromo-1-benzothiophen-3-yl)-(2-iodophenyl)methanol
CID 81153133
3-bromo-5-(chloromethyl)-7-iodo-1-benzothiophene
CID 130884972
2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130885028
(7-bromo-1-benzothiophen-3-yl)methanol
CID 81142228
1,2-dibromo-4,8-diiodonaphthalene
CID 141193260
7-iodo-1-benzothiophene-2,3-diol
CID 131215768
2,7-diiodo-3-methyl-1-benzothiophene
CID 130914423
4-bromo-3-iodo-1-benzothiophene
CID 102452522
7-iodo-1-benzothiophene-2,3-diamine
CID 131001187
6-bromo-3-iodo-7-methoxy-1-benzothiophene
CID 130805844
(3-bromo-7-chloro-1-benzothiophen-6-yl)methanol
CID 130792540

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-iodo-1-benzothiophene?
The IUPAC name of 3-bromo-7-iodo-1-benzothiophene (CID 119083473) is 3-bromo-7-iodo-1-benzothiophene.
What is the SMILES notation for 3-bromo-7-iodo-1-benzothiophene?
The canonical SMILES for 3-bromo-7-iodo-1-benzothiophene is Brc1csc2c(I)cccc12.
What is the InChIKey of 3-bromo-7-iodo-1-benzothiophene?
The InChIKey is KPBVIOKKZXEYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrIS/c9-6-4-11-8-5(6)2-1-3-7(8)10/h1-4H.
What are the key properties of 3-bromo-7-iodo-1-benzothiophene?
3-bromo-7-iodo-1-benzothiophene has a molecular weight of 339.00 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-iodo-1-benzothiophene is sourced from PubChem (CID 119083473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).