7-chloro-6-ethyl-3-methyl-1-benzothiophene

C11H11ClS — CID 91881894

IUPAC7-chloro-6-ethyl-3-methyl-1-benzothiophene
SMILESCCc1ccc2c(C)csc2c1Cl
InChIInChI=1S/C11H11ClS/c1-3-8-4-5-9-7(2)6-13-11(9)10(8)12/h4-6H,3H2,1-2H3
InChIKeyYEWNLIRFDGDQAZ-UHFFFAOYSA-N
MW210.73 g/mol
LogP4.43
Rot. Bonds1

About 7-chloro-6-ethyl-3-methyl-1-benzothiophene

7-chloro-6-ethyl-3-methyl-1-benzothiophene (PubChem CID 91881894) has the molecular formula C11H11ClS and a molecular weight of 210.73 g/mol. Its IUPAC name is 7-chloro-6-ethyl-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-chloro-6-ethyl-3-methyl-1-benzothiophene
PubChem CID91881894
Molecular FormulaC11H11ClS
Molecular Weight210.73 g/mol
Exact Mass210.03
IUPAC Name7-chloro-6-ethyl-3-methyl-1-benzothiophene
SMILESCCc1ccc2c(C)csc2c1Cl
InChIInChI=1S/C11H11ClS/c1-3-8-4-5-9-7(2)6-13-11(9)10(8)12/h4-6H,3H2,1-2H3
InChIKeyYEWNLIRFDGDQAZ-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-ethyl-3-methyl-1-benzothiophene?
The IUPAC name of 7-chloro-6-ethyl-3-methyl-1-benzothiophene (CID 91881894) is 7-chloro-6-ethyl-3-methyl-1-benzothiophene.
What is the SMILES notation for 7-chloro-6-ethyl-3-methyl-1-benzothiophene?
The canonical SMILES for 7-chloro-6-ethyl-3-methyl-1-benzothiophene is CCc1ccc2c(C)csc2c1Cl.
What is the InChIKey of 7-chloro-6-ethyl-3-methyl-1-benzothiophene?
The InChIKey is YEWNLIRFDGDQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClS/c1-3-8-4-5-9-7(2)6-13-11(9)10(8)12/h4-6H,3H2,1-2H3.
What are the key properties of 7-chloro-6-ethyl-3-methyl-1-benzothiophene?
7-chloro-6-ethyl-3-methyl-1-benzothiophene has a molecular weight of 210.73 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-ethyl-3-methyl-1-benzothiophene is sourced from PubChem (CID 91881894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).