5-chloro-4,7-diethyl-1-benzothiophene

C12H13ClS — CID 131059958

IUPAC5-chloro-4,7-diethyl-1-benzothiophene
SMILESCCc1c(Cl)cc(CC)c2sccc12
InChIInChI=1S/C12H13ClS/c1-3-8-7-11(13)9(4-2)10-5-6-14-12(8)10/h5-7H,3-4H2,1-2H3
InChIKeyLIENWCLFWIEGEA-UHFFFAOYSA-N
MW224.76 g/mol
LogP4.68
Rot. Bonds2

About 5-chloro-4,7-diethyl-1-benzothiophene

5-chloro-4,7-diethyl-1-benzothiophene (PubChem CID 131059958) has the molecular formula C12H13ClS and a molecular weight of 224.76 g/mol. Its IUPAC name is 5-chloro-4,7-diethyl-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-4,7-diethyl-1-benzothiophene
PubChem CID131059958
Molecular FormulaC12H13ClS
Molecular Weight224.76 g/mol
Exact Mass224.04
IUPAC Name5-chloro-4,7-diethyl-1-benzothiophene
SMILESCCc1c(Cl)cc(CC)c2sccc12
InChIInChI=1S/C12H13ClS/c1-3-8-7-11(13)9(4-2)10-5-6-14-12(8)10/h5-7H,3-4H2,1-2H3
InChIKeyLIENWCLFWIEGEA-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.76
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-5-ethyl-4-methoxy-1-benzothiophene
CID 130971610
5,7-dichloro-6-ethyl-1-benzothiophene
CID 130969196
(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
CID 131146100
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
7-bromo-5-chloro-6-ethyl-1-benzothiophene
CID 130821099
7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde
CID 131196397
7-ethyl-4-methoxy-1-benzothiophen-5-amine
CID 130788703
7-ethyl-4-iodo-1-benzothiophene-5-carbonitrile
CID 130985730
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317
6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
4-chloro-6-ethyl-1-benzothiophene-5-thiol
CID 130956759
(7-chloro-4-iodo-1-benzothiophen-5-yl)methanol
CID 131031169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,7-diethyl-1-benzothiophene?
The IUPAC name of 5-chloro-4,7-diethyl-1-benzothiophene (CID 131059958) is 5-chloro-4,7-diethyl-1-benzothiophene.
What is the SMILES notation for 5-chloro-4,7-diethyl-1-benzothiophene?
The canonical SMILES for 5-chloro-4,7-diethyl-1-benzothiophene is CCc1c(Cl)cc(CC)c2sccc12.
What is the InChIKey of 5-chloro-4,7-diethyl-1-benzothiophene?
The InChIKey is LIENWCLFWIEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClS/c1-3-8-7-11(13)9(4-2)10-5-6-14-12(8)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-4,7-diethyl-1-benzothiophene?
5-chloro-4,7-diethyl-1-benzothiophene has a molecular weight of 224.76 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,7-diethyl-1-benzothiophene is sourced from PubChem (CID 131059958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).