6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene

C11H10BrIS — CID 130955965

IUPAC6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
SMILESCCc1c(CBr)cc2sccc2c1I
InChIInChI=1S/C11H10BrIS/c1-2-8-7(6-12)5-10-9(11(8)13)3-4-14-10/h3-5H,2,6H2,1H3
InChIKeyHISOSKIPVPMBRI-UHFFFAOYSA-N
MW381.08 g/mol
LogP4.96
Rot. Bonds2

About 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene

6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene (PubChem CID 130955965) has the molecular formula C11H10BrIS and a molecular weight of 381.08 g/mol. Its IUPAC name is 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene.

Molecular Properties

Compound Name6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
PubChem CID130955965
Molecular FormulaC11H10BrIS
Molecular Weight381.08 g/mol
Exact Mass379.87
IUPAC Name6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
SMILESCCc1c(CBr)cc2sccc2c1I
InChIInChI=1S/C11H10BrIS/c1-2-8-7(6-12)5-10-9(11(8)13)3-4-14-10/h3-5H,2,6H2,1H3
InChIKeyHISOSKIPVPMBRI-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.08
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4-iodo-6-methyl-1-benzothiophene
CID 130827103
6-ethyl-5-fluoro-4-iodo-1-benzothiophene
CID 130898645
6-(bromomethyl)-4-iodo-1-benzothiophene-5-carbaldehyde
CID 131014331
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 131123133
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
CID 130971765
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317
6-(bromomethyl)-4-chloro-5-fluoro-1-benzothiophene
CID 130803998
4-(bromomethyl)-6,7-diiodo-1-benzothiophene
CID 131169476
5-bromo-4-iodo-1-benzothiophene-6-thiol
CID 131001287

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene?
The IUPAC name of 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene (CID 130955965) is 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene.
What is the SMILES notation for 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene?
The canonical SMILES for 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene is CCc1c(CBr)cc2sccc2c1I.
What is the InChIKey of 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene?
The InChIKey is HISOSKIPVPMBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIS/c1-2-8-7(6-12)5-10-9(11(8)13)3-4-14-10/h3-5H,2,6H2,1H3.
What are the key properties of 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene?
6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene has a molecular weight of 381.08 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene is sourced from PubChem (CID 130955965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).