4-bromo-2,6-diethyl-1-benzothiophene

C12H13BrS — CID 131029500

IUPAC4-bromo-2,6-diethyl-1-benzothiophene
SMILESCCc1cc(Br)c2cc(CC)sc2c1
InChIInChI=1S/C12H13BrS/c1-3-8-5-11(13)10-7-9(4-2)14-12(10)6-8/h5-7H,3-4H2,1-2H3
InChIKeyZUNJAHQWRKJWOK-UHFFFAOYSA-N
MW269.21 g/mol
LogP4.79
Rot. Bonds2

About 4-bromo-2,6-diethyl-1-benzothiophene

4-bromo-2,6-diethyl-1-benzothiophene (PubChem CID 131029500) has the molecular formula C12H13BrS and a molecular weight of 269.21 g/mol. Its IUPAC name is 4-bromo-2,6-diethyl-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-2,6-diethyl-1-benzothiophene
PubChem CID131029500
Molecular FormulaC12H13BrS
Molecular Weight269.21 g/mol
Exact Mass267.99
IUPAC Name4-bromo-2,6-diethyl-1-benzothiophene
SMILESCCc1cc(Br)c2cc(CC)sc2c1
InChIInChI=1S/C12H13BrS/c1-3-8-5-11(13)10-7-9(4-2)14-12(10)6-8/h5-7H,3-4H2,1-2H3
InChIKeyZUNJAHQWRKJWOK-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
CID 130941761
5-bromo-4-chloro-2-ethyl-1-benzothiophene
CID 131030854
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
CID 130792061
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
4-bromo-6-(chloromethyl)-2-methyl-1-benzothiophene
CID 130785925
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
CID 130788319
(2,6-dibromo-4-ethylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
CID 21420848
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
CID 144783026
2,6-dibromo-4-ethylaniline
CID 14043928
2-ethyl-6-hydroxy-1-benzothiophene-4-carbaldehyde
CID 131150677
2-ethyl-4-iodo-1-benzothiophene
CID 135322307

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-diethyl-1-benzothiophene?
The IUPAC name of 4-bromo-2,6-diethyl-1-benzothiophene (CID 131029500) is 4-bromo-2,6-diethyl-1-benzothiophene.
What is the SMILES notation for 4-bromo-2,6-diethyl-1-benzothiophene?
The canonical SMILES for 4-bromo-2,6-diethyl-1-benzothiophene is CCc1cc(Br)c2cc(CC)sc2c1.
What is the InChIKey of 4-bromo-2,6-diethyl-1-benzothiophene?
The InChIKey is ZUNJAHQWRKJWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrS/c1-3-8-5-11(13)10-7-9(4-2)14-12(10)6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-2,6-diethyl-1-benzothiophene?
4-bromo-2,6-diethyl-1-benzothiophene has a molecular weight of 269.21 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-diethyl-1-benzothiophene is sourced from PubChem (CID 131029500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).