5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene

C11H10BrClS — CID 131014328

IUPAC5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
SMILESCCc1cc2cc(CBr)c(Cl)cc2s1
InChIInChI=1S/C11H10BrClS/c1-2-9-4-7-3-8(6-12)10(13)5-11(7)14-9/h3-5H,2,6H2,1H3
InChIKeyBIRKUJZEOQWHTM-UHFFFAOYSA-N
MW289.63 g/mol
LogP5.01
Rot. Bonds2

About 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene

5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene (PubChem CID 131014328) has the molecular formula C11H10BrClS and a molecular weight of 289.63 g/mol. Its IUPAC name is 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene.

Molecular Properties

Compound Name5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
PubChem CID131014328
Molecular FormulaC11H10BrClS
Molecular Weight289.63 g/mol
Exact Mass287.94
IUPAC Name5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene
SMILESCCc1cc2cc(CBr)c(Cl)cc2s1
InChIInChI=1S/C11H10BrClS/c1-2-9-4-7-3-8(6-12)10(13)5-11(7)14-9/h3-5H,2,6H2,1H3
InChIKeyBIRKUJZEOQWHTM-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.63
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-ethyl-1-benzothiophen-5-amine
CID 130805171
2,6-diethyl-1-benzothiophen-5-amine
CID 130914459
2-(bromomethyl)-5-chloro-1-benzothiophen-6-ol
CID 130806016
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
CID 130792061
2-ethyl-5-iodo-1-benzothiophene-6-thiol
CID 130961893
2-(bromomethyl)-7-chloro-5-ethyl-1-benzothiophene
CID 131122564
2-(chloromethyl)-6-ethyl-1-benzothiophen-5-ol
CID 130969973
2-ethylthieno[3,2-c]pyridine
CID 70413721
2-ethyl-6-hydroxy-1-benzothiophene-5-carbonitrile
CID 130877320
6-(chloromethyl)-5-ethyl-1-benzothiophen-2-amine
CID 130866214
2-chloro-5-ethyl-6-fluoro-1-benzothiophene
CID 131080280
(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene?
The IUPAC name of 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene (CID 131014328) is 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene.
What is the SMILES notation for 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene?
The canonical SMILES for 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene is CCc1cc2cc(CBr)c(Cl)cc2s1.
What is the InChIKey of 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene?
The InChIKey is BIRKUJZEOQWHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClS/c1-2-9-4-7-3-8(6-12)10(13)5-11(7)14-9/h3-5H,2,6H2,1H3.
What are the key properties of 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene?
5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene has a molecular weight of 289.63 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-6-chloro-2-ethyl-1-benzothiophene is sourced from PubChem (CID 131014328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).