5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene

C11H10Br2S — CID 131214219

IUPAC5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene
SMILESCCc1cc(Br)cc2cc(CBr)sc12
InChIInChI=1S/C11H10Br2S/c1-2-7-3-9(13)4-8-5-10(6-12)14-11(7)8/h3-5H,2,6H2,1H3
InChIKeyZZIVTCCNLSGSNR-UHFFFAOYSA-N
MW334.08 g/mol
LogP5.12
Rot. Bonds2

About 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene

5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene (PubChem CID 131214219) has the molecular formula C11H10Br2S and a molecular weight of 334.08 g/mol. Its IUPAC name is 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene
PubChem CID131214219
Molecular FormulaC11H10Br2S
Molecular Weight334.08 g/mol
Exact Mass331.89
IUPAC Name5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene
SMILESCCc1cc(Br)cc2cc(CBr)sc12
InChIInChI=1S/C11H10Br2S/c1-2-7-3-9(13)4-8-5-10(6-12)14-11(7)8/h3-5H,2,6H2,1H3
InChIKeyZZIVTCCNLSGSNR-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.08
LogP ≤ 55.12
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

2-(bromomethyl)-7-chloro-5-ethyl-1-benzothiophene
CID 131122564
2-(bromomethyl)-5-ethyl-7-fluoro-1-benzothiophene
CID 130985210
5-(bromomethyl)-2-chloro-7-ethyl-1-benzothiophene
CID 131060216
5-(bromomethyl)-7-ethyl-1-benzothiophen-2-amine
CID 131169442
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-7-amine
CID 131053468
(5,7-dibromo-1-benzothiophen-2-yl)methanol
CID 130982936
2-(bromomethyl)-5-methoxy-7-methyl-1-benzothiophene
CID 130805587
5-bromo-2-chloro-1,3-diethylbenzene
CID 44891102
5-bromo-7-ethyl-3-fluoro-1-benzothiophene
CID 130926140
6-bromo-4-ethyl-1,3-benzothiazol-2-amine
CID 3413695
5-bromo-7-ethyl-1H-indole
CID 21071575
5-bromo-2-ethylthieno[2,3-b]pyridine
CID 91250034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene?
The IUPAC name of 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene (CID 131214219) is 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene.
What is the SMILES notation for 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene?
The canonical SMILES for 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene is CCc1cc(Br)cc2cc(CBr)sc12.
What is the InChIKey of 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene?
The InChIKey is ZZIVTCCNLSGSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2S/c1-2-7-3-9(13)4-8-5-10(6-12)14-11(7)8/h3-5H,2,6H2,1H3.
What are the key properties of 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene?
5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene has a molecular weight of 334.08 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene is sourced from PubChem (CID 131214219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).