5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol

C13H10O2S3 — CID 67704021

IUPAC5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol
SMILESCc1cc(O)sc1-c1ccsc1-c1ccc(O)s1
InChIInChI=1S/C13H10O2S3/c1-7-6-11(15)18-12(7)8-4-5-16-13(8)9-2-3-10(14)17-9/h2-6,14-15H,1H3
InChIKeyMRTJUAAFMORASK-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.92
Rot. Bonds2

About 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol

5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol (PubChem CID 67704021) has the molecular formula C13H10O2S3 and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol.

Molecular Properties

Compound Name5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol
PubChem CID67704021
Molecular FormulaC13H10O2S3
Molecular Weight294.42 g/mol
Exact Mass293.98
IUPAC Name5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol
SMILESCc1cc(O)sc1-c1ccsc1-c1ccc(O)s1
InChIInChI=1S/C13H10O2S3/c1-7-6-11(15)18-12(7)8-4-5-16-13(8)9-2-3-10(14)17-9/h2-6,14-15H,1H3
InChIKeyMRTJUAAFMORASK-UHFFFAOYSA-N
XLogP4.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol?
The IUPAC name of 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol (CID 67704021) is 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol.
What is the SMILES notation for 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol?
The canonical SMILES for 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol is Cc1cc(O)sc1-c1ccsc1-c1ccc(O)s1.
What is the InChIKey of 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol?
The InChIKey is MRTJUAAFMORASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S3/c1-7-6-11(15)18-12(7)8-4-5-16-13(8)9-2-3-10(14)17-9/h2-6,14-15H,1H3.
What are the key properties of 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol?
5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol has a molecular weight of 294.42 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol is sourced from PubChem (CID 67704021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).