2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene

C15H18S — CID 102583852

IUPAC2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene
SMILESCc1cc(C)c(-c2csc(C)c2C)c(C)c1
InChIInChI=1S/C15H18S/c1-9-6-10(2)15(11(3)7-9)14-8-16-13(5)12(14)4/h6-8H,1-5H3
InChIKeyFVRLVMGIFANRFR-UHFFFAOYSA-N
MW230.38 g/mol
LogP4.96
Rot. Bonds1

About 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene

2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene (PubChem CID 102583852) has the molecular formula C15H18S and a molecular weight of 230.38 g/mol. Its IUPAC name is 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene.

Molecular Properties

Compound Name2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene
PubChem CID102583852
Molecular FormulaC15H18S
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene
SMILESCc1cc(C)c(-c2csc(C)c2C)c(C)c1
InChIInChI=1S/C15H18S/c1-9-6-10(2)15(11(3)7-9)14-8-16-13(5)12(14)4/h6-8H,1-5H3
InChIKeyFVRLVMGIFANRFR-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene?
The IUPAC name of 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene (CID 102583852) is 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene.
What is the SMILES notation for 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene?
The canonical SMILES for 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene is Cc1cc(C)c(-c2csc(C)c2C)c(C)c1.
What is the InChIKey of 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene?
The InChIKey is FVRLVMGIFANRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18S/c1-9-6-10(2)15(11(3)7-9)14-8-16-13(5)12(14)4/h6-8H,1-5H3.
What are the key properties of 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene?
2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene has a molecular weight of 230.38 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(2,4,6-trimethylphenyl)thiophene is sourced from PubChem (CID 102583852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).