3-(3-methylphenyl)thiophene

C11H10S — CID 4130346

IUPAC3-(3-methylphenyl)thiophene
SMILESCc1cccc(-c2ccsc2)c1
InChIInChI=1S/C11H10S/c1-9-3-2-4-10(7-9)11-5-6-12-8-11/h2-8H,1H3
InChIKeySQYZCCOIYFJDNY-UHFFFAOYSA-N
MW174.27 g/mol
LogP3.72
Rot. Bonds1

About 3-(3-methylphenyl)thiophene

3-(3-methylphenyl)thiophene (PubChem CID 4130346) has the molecular formula C11H10S and a molecular weight of 174.27 g/mol. Its IUPAC name is 3-(3-methylphenyl)thiophene.

Molecular Properties

Compound Name3-(3-methylphenyl)thiophene
PubChem CID4130346
Molecular FormulaC11H10S
Molecular Weight174.27 g/mol
Exact Mass174.05
IUPAC Name3-(3-methylphenyl)thiophene
SMILESCc1cccc(-c2ccsc2)c1
InChIInChI=1S/C11H10S/c1-9-3-2-4-10(7-9)11-5-6-12-8-11/h2-8H,1H3
InChIKeySQYZCCOIYFJDNY-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)thiophene?
The IUPAC name of 3-(3-methylphenyl)thiophene (CID 4130346) is 3-(3-methylphenyl)thiophene.
What is the SMILES notation for 3-(3-methylphenyl)thiophene?
The canonical SMILES for 3-(3-methylphenyl)thiophene is Cc1cccc(-c2ccsc2)c1.
What is the InChIKey of 3-(3-methylphenyl)thiophene?
The InChIKey is SQYZCCOIYFJDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S/c1-9-3-2-4-10(7-9)11-5-6-12-8-11/h2-8H,1H3.
What are the key properties of 3-(3-methylphenyl)thiophene?
3-(3-methylphenyl)thiophene has a molecular weight of 174.27 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)thiophene is sourced from PubChem (CID 4130346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).