2-chloro-3-(4-ethylphenyl)thiophene

C12H11ClS — CID 15641630

IUPAC2-chloro-3-(4-ethylphenyl)thiophene
SMILESCCc1ccc(-c2ccsc2Cl)cc1
InChIInChI=1S/C12H11ClS/c1-2-9-3-5-10(6-4-9)11-7-8-14-12(11)13/h3-8H,2H2,1H3
InChIKeyJTZBTBJNAYAEKH-UHFFFAOYSA-N
MW222.74 g/mol
LogP4.63
Rot. Bonds2

About 2-chloro-3-(4-ethylphenyl)thiophene

2-chloro-3-(4-ethylphenyl)thiophene (PubChem CID 15641630) has the molecular formula C12H11ClS and a molecular weight of 222.74 g/mol. Its IUPAC name is 2-chloro-3-(4-ethylphenyl)thiophene.

Molecular Properties

Compound Name2-chloro-3-(4-ethylphenyl)thiophene
PubChem CID15641630
Molecular FormulaC12H11ClS
Molecular Weight222.74 g/mol
Exact Mass222.03
IUPAC Name2-chloro-3-(4-ethylphenyl)thiophene
SMILESCCc1ccc(-c2ccsc2Cl)cc1
InChIInChI=1S/C12H11ClS/c1-2-9-3-5-10(6-4-9)11-7-8-14-12(11)13/h3-8H,2H2,1H3
InChIKeyJTZBTBJNAYAEKH-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(4-ethylphenyl)thiophene?
The IUPAC name of 2-chloro-3-(4-ethylphenyl)thiophene (CID 15641630) is 2-chloro-3-(4-ethylphenyl)thiophene.
What is the SMILES notation for 2-chloro-3-(4-ethylphenyl)thiophene?
The canonical SMILES for 2-chloro-3-(4-ethylphenyl)thiophene is CCc1ccc(-c2ccsc2Cl)cc1.
What is the InChIKey of 2-chloro-3-(4-ethylphenyl)thiophene?
The InChIKey is JTZBTBJNAYAEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClS/c1-2-9-3-5-10(6-4-9)11-7-8-14-12(11)13/h3-8H,2H2,1H3.
What are the key properties of 2-chloro-3-(4-ethylphenyl)thiophene?
2-chloro-3-(4-ethylphenyl)thiophene has a molecular weight of 222.74 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(4-ethylphenyl)thiophene is sourced from PubChem (CID 15641630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).