7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene

C11H10Br2S — CID 130870265

IUPAC7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
SMILESCCc1cc(Br)c2scc(CBr)c2c1
InChIInChI=1S/C11H10Br2S/c1-2-7-3-9-8(5-12)6-14-11(9)10(13)4-7/h3-4,6H,2,5H2,1H3
InChIKeyCBMYINXOVCTXNO-UHFFFAOYSA-N
MW334.08 g/mol
LogP5.12
Rot. Bonds2

About 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene

7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene (PubChem CID 130870265) has the molecular formula C11H10Br2S and a molecular weight of 334.08 g/mol. Its IUPAC name is 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
PubChem CID130870265
Molecular FormulaC11H10Br2S
Molecular Weight334.08 g/mol
Exact Mass331.89
IUPAC Name7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene
SMILESCCc1cc(Br)c2scc(CBr)c2c1
InChIInChI=1S/C11H10Br2S/c1-2-7-3-9-8(5-12)6-14-11(9)10(13)4-7/h3-4,6H,2,5H2,1H3
InChIKeyCBMYINXOVCTXNO-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

3-(bromomethyl)-7-chloro-5-methylsulfanyl-1-benzothiophene
CID 131080277
3-(bromomethyl)-7-ethyl-6-methyl-1-benzothiophene
CID 131053455
2,6-dibromo-4-ethylaniline
CID 14043928
3-(bromomethyl)-6-ethyl-4-iodo-1-benzothiophene
CID 131123886
5,7-diethyl-3-iodo-1-benzothiophene
CID 131076013
3-(bromomethyl)-5-chloro-1-benzothiophen-7-amine
CID 130883393
3-bromo-7-(bromomethyl)-5-methylsulfanyl-1-benzothiophene
CID 131146097
3-bromo-7-(bromomethyl)-1-benzothiophen-5-ol
CID 130987984
3-bromo-6-(bromomethyl)-4-ethyl-1-benzothiophene
CID 131098238
7-bromo-5-ethyl-2-methyl-3-(trifluoromethoxy)-1-benzothiophene
CID 178006007
[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
CID 131191545
7-bromo-3-(bromomethyl)-1-benzothiophene-6-thiol
CID 130969279

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene?
The IUPAC name of 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene (CID 130870265) is 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene?
The canonical SMILES for 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene is CCc1cc(Br)c2scc(CBr)c2c1.
What is the InChIKey of 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene?
The InChIKey is CBMYINXOVCTXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2S/c1-2-7-3-9-8(5-12)6-14-11(9)10(13)4-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene?
7-bromo-3-(bromomethyl)-5-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 7-bromo-3-(bromomethyl)-5-ethyl-1-benzothiophene is sourced from PubChem (CID 130870265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).