5,7-dichloro-6-ethyl-1-benzothiophene

C10H8Cl2S — CID 130969196

IUPAC5,7-dichloro-6-ethyl-1-benzothiophene
SMILESCCc1c(Cl)cc2ccsc2c1Cl
InChIInChI=1S/C10H8Cl2S/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5H,2H2,1H3
InChIKeyBMCFVUOPYUPNOS-UHFFFAOYSA-N
MW231.15 g/mol
LogP4.77
Rot. Bonds1

About 5,7-dichloro-6-ethyl-1-benzothiophene

5,7-dichloro-6-ethyl-1-benzothiophene (PubChem CID 130969196) has the molecular formula C10H8Cl2S and a molecular weight of 231.15 g/mol. Its IUPAC name is 5,7-dichloro-6-ethyl-1-benzothiophene.

Molecular Properties

Compound Name5,7-dichloro-6-ethyl-1-benzothiophene
PubChem CID130969196
Molecular FormulaC10H8Cl2S
Molecular Weight231.15 g/mol
Exact Mass229.97
IUPAC Name5,7-dichloro-6-ethyl-1-benzothiophene
SMILESCCc1c(Cl)cc2ccsc2c1Cl
InChIInChI=1S/C10H8Cl2S/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5H,2H2,1H3
InChIKeyBMCFVUOPYUPNOS-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
7-bromo-5-chloro-6-ethyl-1-benzothiophene
CID 130821099
6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958
7-chloro-5-methyl-1-benzothiophene
CID 66806727
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
5-chloro-6-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130956878
6-(bromomethyl)-7-chloro-5-fluoro-1-benzothiophene
CID 130805698
7-chloro-1-benzothiophen-5-amine
CID 68726057
5-bromo-6,7-dichloro-1-benzothiophene
CID 70337047
5-chloro-7-methyl-1-benzothiophen-6-amine
CID 130969770
6-ethyl-5-methyl-1-benzothiophene-7-carbaldehyde
CID 130961943

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-ethyl-1-benzothiophene?
The IUPAC name of 5,7-dichloro-6-ethyl-1-benzothiophene (CID 130969196) is 5,7-dichloro-6-ethyl-1-benzothiophene.
What is the SMILES notation for 5,7-dichloro-6-ethyl-1-benzothiophene?
The canonical SMILES for 5,7-dichloro-6-ethyl-1-benzothiophene is CCc1c(Cl)cc2ccsc2c1Cl.
What is the InChIKey of 5,7-dichloro-6-ethyl-1-benzothiophene?
The InChIKey is BMCFVUOPYUPNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2S/c1-2-7-8(11)5-6-3-4-13-10(6)9(7)12/h3-5H,2H2,1H3.
What are the key properties of 5,7-dichloro-6-ethyl-1-benzothiophene?
5,7-dichloro-6-ethyl-1-benzothiophene has a molecular weight of 231.15 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-ethyl-1-benzothiophene is sourced from PubChem (CID 130969196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).