3-ethyl-6-methyl-1-benzothiophene

C11H12S — CID 142026591

IUPAC3-ethyl-6-methyl-1-benzothiophene
SMILESCCc1csc2cc(C)ccc12
InChIInChI=1S/C11H12S/c1-3-9-7-12-11-6-8(2)4-5-10(9)11/h4-7H,3H2,1-2H3
InChIKeyACBPHCXYUOKXOH-UHFFFAOYSA-N
MW176.28 g/mol
LogP3.77
Rot. Bonds1

About 3-ethyl-6-methyl-1-benzothiophene

3-ethyl-6-methyl-1-benzothiophene (PubChem CID 142026591) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-benzothiophene
PubChem CID142026591
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name3-ethyl-6-methyl-1-benzothiophene
SMILESCCc1csc2cc(C)ccc12
InChIInChI=1S/C11H12S/c1-3-9-7-12-11-6-8(2)4-5-10(9)11/h4-7H,3H2,1-2H3
InChIKeyACBPHCXYUOKXOH-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
CID 117185621
N-[(6-methyl-1-benzothiophen-3-yl)methyl]ethanamine
CID 117185619
methyl 2-(6-methyl-1-benzothiophen-3-yl)acetate
CID 58828756
3-(6-methyl-1-benzothiophen-3-yl)propanoic acid
CID 57310358
6-methyl-3-(propan-2-ylsulfonylmethyl)-1-benzothiophene
CID 117185600
1-[(6-methyl-1-benzothiophen-3-yl)methyl]piperidine
CID 117185593
1-(6-methyl-1-benzothiophen-3-yl)propan-1-one
CID 20738609
6-methyl-1-benzothiophene-3-carbaldehyde
CID 82374207
ethane;3-ethyl-1-benzothiophene;bis(3-methyl-1-benzothiophene)
CID 142901816
6-methyl-1-benzothiophene-3-sulfonyl chloride
CID 116646210
3-ethyl-5-iodo-1-benzothiophene
CID 20678685
5-bromo-3-ethyl-1-benzothiophene
CID 11708535

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-benzothiophene?
The IUPAC name of 3-ethyl-6-methyl-1-benzothiophene (CID 142026591) is 3-ethyl-6-methyl-1-benzothiophene.
What is the SMILES notation for 3-ethyl-6-methyl-1-benzothiophene?
The canonical SMILES for 3-ethyl-6-methyl-1-benzothiophene is CCc1csc2cc(C)ccc12.
What is the InChIKey of 3-ethyl-6-methyl-1-benzothiophene?
The InChIKey is ACBPHCXYUOKXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S/c1-3-9-7-12-11-6-8(2)4-5-10(9)11/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-1-benzothiophene?
3-ethyl-6-methyl-1-benzothiophene has a molecular weight of 176.28 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-benzothiophene is sourced from PubChem (CID 142026591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).