3-chloro-6-ethyl-1-benzothiophene

C10H9ClS — CID 91757441

IUPAC3-chloro-6-ethyl-1-benzothiophene
SMILESCCc1ccc2c(Cl)csc2c1
InChIInChI=1S/C10H9ClS/c1-2-7-3-4-8-9(11)6-12-10(8)5-7/h3-6H,2H2,1H3
InChIKeyHDRYSQIVFBWFPH-UHFFFAOYSA-N
MW196.70 g/mol
LogP4.12
Rot. Bonds1

About 3-chloro-6-ethyl-1-benzothiophene

3-chloro-6-ethyl-1-benzothiophene (PubChem CID 91757441) has the molecular formula C10H9ClS and a molecular weight of 196.70 g/mol. Its IUPAC name is 3-chloro-6-ethyl-1-benzothiophene.

Molecular Properties

Compound Name3-chloro-6-ethyl-1-benzothiophene
PubChem CID91757441
Molecular FormulaC10H9ClS
Molecular Weight196.70 g/mol
Exact Mass196.01
IUPAC Name3-chloro-6-ethyl-1-benzothiophene
SMILESCCc1ccc2c(Cl)csc2c1
InChIInChI=1S/C10H9ClS/c1-2-7-3-4-8-9(11)6-12-10(8)5-7/h3-6H,2H2,1H3
InChIKeyHDRYSQIVFBWFPH-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.70
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-6-(diethoxymethyl)-1-benzothiophene
CID 91756094
4-(6-ethyl-1-benzothiophen-3-yl)piperidine
CID 18797308
5-(bromomethyl)-3-chloro-6-ethyl-1-benzothiophene
CID 130840069
3-ethyl-6-methyl-1-benzothiophene
CID 142026591
3-ethyl-7-propyldibenzothiophene
CID 135251711
3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
CID 904005
3-bromo-2-(chloromethyl)-6-ethyl-1-benzothiophene
CID 131119351
ethane;6-ethyl-3-methyl-1,2-benzothiazole
CID 90929193
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
1-chloro-4-ethyl-2-methylbenzene;ethane
CID 142121320
2-(5-ethyl-1-benzothiophen-3-yl)acetonitrile
CID 15816641
2-(5-ethyl-1-benzothiophen-3-yl)ethanamine;hydrochloride
CID 21469698

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-1-benzothiophene?
The IUPAC name of 3-chloro-6-ethyl-1-benzothiophene (CID 91757441) is 3-chloro-6-ethyl-1-benzothiophene.
What is the SMILES notation for 3-chloro-6-ethyl-1-benzothiophene?
The canonical SMILES for 3-chloro-6-ethyl-1-benzothiophene is CCc1ccc2c(Cl)csc2c1.
What is the InChIKey of 3-chloro-6-ethyl-1-benzothiophene?
The InChIKey is HDRYSQIVFBWFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClS/c1-2-7-3-4-8-9(11)6-12-10(8)5-7/h3-6H,2H2,1H3.
What are the key properties of 3-chloro-6-ethyl-1-benzothiophene?
3-chloro-6-ethyl-1-benzothiophene has a molecular weight of 196.70 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-1-benzothiophene is sourced from PubChem (CID 91757441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).