3-bromo-2-chloro-6-iodo-1-benzothiophene

C8H3BrClIS — CID 130941860

IUPAC3-bromo-2-chloro-6-iodo-1-benzothiophene
SMILESClc1sc2cc(I)ccc2c1Br
InChIInChI=1S/C8H3BrClIS/c9-7-5-2-1-4(11)3-6(5)12-8(7)10/h1-3H
InChIKeyOOKIYCJURCMKQP-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.92
Rot. Bonds

About 3-bromo-2-chloro-6-iodo-1-benzothiophene

3-bromo-2-chloro-6-iodo-1-benzothiophene (PubChem CID 130941860) has the molecular formula C8H3BrClIS and a molecular weight of 373.44 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-iodo-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-6-iodo-1-benzothiophene
PubChem CID130941860
Molecular FormulaC8H3BrClIS
Molecular Weight373.44 g/mol
Exact Mass371.79
IUPAC Name3-bromo-2-chloro-6-iodo-1-benzothiophene
SMILESClc1sc2cc(I)ccc2c1Br
InChIInChI=1S/C8H3BrClIS/c9-7-5-2-1-4(11)3-6(5)12-8(7)10/h1-3H
InChIKeyOOKIYCJURCMKQP-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.92
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-chloro-6-iodo-1-benzothiophen-2-ol
CID 131119412
2-chloro-3,5-diiodo-1-benzothiophene
CID 130840891
3-iododibenzothiophene
CID 86150547
3-fluoro-6-iodo-1-benzothiophen-2-ol
CID 131000547
3-bromo-1-(3-bromo-7-iododibenzothiophen-1-yl)sulfinyl-7-iododibenzothiophene
CID 169097166
2-bromo-8-iododibenzothiophene
CID 90306270
2-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131076549
3-bromo-7-(4-iodophenyl)dibenzothiophene
CID 146300895
3-(hydroxymethyl)-6-iodo-1-benzothiophen-2-ol
CID 130792316
3-bromo-6-chloro-1-benzothiophene-2-carbaldehyde
CID 84743299
6-iodo-3-methylsulfanyl-1-benzothiophen-2-amine
CID 130988040
2-chloro-3-iodo-1-benzothiophene-6-carbonitrile
CID 130826404

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-iodo-1-benzothiophene?
The IUPAC name of 3-bromo-2-chloro-6-iodo-1-benzothiophene (CID 130941860) is 3-bromo-2-chloro-6-iodo-1-benzothiophene.
What is the SMILES notation for 3-bromo-2-chloro-6-iodo-1-benzothiophene?
The canonical SMILES for 3-bromo-2-chloro-6-iodo-1-benzothiophene is Clc1sc2cc(I)ccc2c1Br.
What is the InChIKey of 3-bromo-2-chloro-6-iodo-1-benzothiophene?
The InChIKey is OOKIYCJURCMKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClIS/c9-7-5-2-1-4(11)3-6(5)12-8(7)10/h1-3H.
What are the key properties of 3-bromo-2-chloro-6-iodo-1-benzothiophene?
3-bromo-2-chloro-6-iodo-1-benzothiophene has a molecular weight of 373.44 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-iodo-1-benzothiophene is sourced from PubChem (CID 130941860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).