ethane;3-(3-methylphenyl)thiophene

C13H16S — CID 143181540

IUPACethane;3-(3-methylphenyl)thiophene
SMILESCC.Cc1cccc(-c2ccsc2)c1
InChIInChI=1S/C11H10S.C2H6/c1-9-3-2-4-10(7-9)11-5-6-12-8-11;1-2/h2-8H,1H3;1-2H3
InChIKeyQLGXTEKZIDYKHH-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.75
Rot. Bonds1

About ethane;3-(3-methylphenyl)thiophene

ethane;3-(3-methylphenyl)thiophene (PubChem CID 143181540) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is ethane;3-(3-methylphenyl)thiophene.

Molecular Properties

Compound Nameethane;3-(3-methylphenyl)thiophene
PubChem CID143181540
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Nameethane;3-(3-methylphenyl)thiophene
SMILESCC.Cc1cccc(-c2ccsc2)c1
InChIInChI=1S/C11H10S.C2H6/c1-9-3-2-4-10(7-9)11-5-6-12-8-11;1-2/h2-8H,1H3;1-2H3
InChIKeyQLGXTEKZIDYKHH-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methylphenyl)thiophene?
The IUPAC name of ethane;3-(3-methylphenyl)thiophene (CID 143181540) is ethane;3-(3-methylphenyl)thiophene.
What is the SMILES notation for ethane;3-(3-methylphenyl)thiophene?
The canonical SMILES for ethane;3-(3-methylphenyl)thiophene is CC.Cc1cccc(-c2ccsc2)c1.
What is the InChIKey of ethane;3-(3-methylphenyl)thiophene?
The InChIKey is QLGXTEKZIDYKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10S.C2H6/c1-9-3-2-4-10(7-9)11-5-6-12-8-11;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;3-(3-methylphenyl)thiophene?
ethane;3-(3-methylphenyl)thiophene has a molecular weight of 204.34 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-methylphenyl)thiophene is sourced from PubChem (CID 143181540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).