2-methyl-4-(4-methylphenyl)thiophene

C12H12S — CID 59707564

IUPAC2-methyl-4-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2csc(C)c2)cc1
InChIInChI=1S/C12H12S/c1-9-3-5-11(6-4-9)12-7-10(2)13-8-12/h3-8H,1-2H3
InChIKeyKJDKEWJFENERQQ-UHFFFAOYSA-N
MW188.29 g/mol
LogP4.03
Rot. Bonds1

About 2-methyl-4-(4-methylphenyl)thiophene

2-methyl-4-(4-methylphenyl)thiophene (PubChem CID 59707564) has the molecular formula C12H12S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)thiophene
PubChem CID59707564
Molecular FormulaC12H12S
Molecular Weight188.29 g/mol
Exact Mass188.07
IUPAC Name2-methyl-4-(4-methylphenyl)thiophene
SMILESCc1ccc(-c2csc(C)c2)cc1
InChIInChI=1S/C12H12S/c1-9-3-5-11(6-4-9)12-7-10(2)13-8-12/h3-8H,1-2H3
InChIKeyKJDKEWJFENERQQ-UHFFFAOYSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)thiophene?
The IUPAC name of 2-methyl-4-(4-methylphenyl)thiophene (CID 59707564) is 2-methyl-4-(4-methylphenyl)thiophene.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)thiophene?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)thiophene is Cc1ccc(-c2csc(C)c2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)thiophene?
The InChIKey is KJDKEWJFENERQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S/c1-9-3-5-11(6-4-9)12-7-10(2)13-8-12/h3-8H,1-2H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)thiophene?
2-methyl-4-(4-methylphenyl)thiophene has a molecular weight of 188.29 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)thiophene is sourced from PubChem (CID 59707564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).