2-chloro-5-(2,4-dimethylphenyl)thiophene

C12H11ClS — CID 102164145

IUPAC2-chloro-5-(2,4-dimethylphenyl)thiophene
SMILESCc1ccc(-c2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C12H11ClS/c1-8-3-4-10(9(2)7-8)11-5-6-12(13)14-11/h3-7H,1-2H3
InChIKeyWWTZITUSYXGHRS-UHFFFAOYSA-N
MW222.74 g/mol
LogP4.69
Rot. Bonds1

About 2-chloro-5-(2,4-dimethylphenyl)thiophene

2-chloro-5-(2,4-dimethylphenyl)thiophene (PubChem CID 102164145) has the molecular formula C12H11ClS and a molecular weight of 222.74 g/mol. Its IUPAC name is 2-chloro-5-(2,4-dimethylphenyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(2,4-dimethylphenyl)thiophene
PubChem CID102164145
Molecular FormulaC12H11ClS
Molecular Weight222.74 g/mol
Exact Mass222.03
IUPAC Name2-chloro-5-(2,4-dimethylphenyl)thiophene
SMILESCc1ccc(-c2ccc(Cl)s2)c(C)c1
InChIInChI=1S/C12H11ClS/c1-8-3-4-10(9(2)7-8)11-5-6-12(13)14-11/h3-7H,1-2H3
InChIKeyWWTZITUSYXGHRS-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.74
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,4-dimethylphenyl)thiophene?
The IUPAC name of 2-chloro-5-(2,4-dimethylphenyl)thiophene (CID 102164145) is 2-chloro-5-(2,4-dimethylphenyl)thiophene.
What is the SMILES notation for 2-chloro-5-(2,4-dimethylphenyl)thiophene?
The canonical SMILES for 2-chloro-5-(2,4-dimethylphenyl)thiophene is Cc1ccc(-c2ccc(Cl)s2)c(C)c1.
What is the InChIKey of 2-chloro-5-(2,4-dimethylphenyl)thiophene?
The InChIKey is WWTZITUSYXGHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClS/c1-8-3-4-10(9(2)7-8)11-5-6-12(13)14-11/h3-7H,1-2H3.
What are the key properties of 2-chloro-5-(2,4-dimethylphenyl)thiophene?
2-chloro-5-(2,4-dimethylphenyl)thiophene has a molecular weight of 222.74 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,4-dimethylphenyl)thiophene is sourced from PubChem (CID 102164145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).