5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol

C13H10O2S3 — CID 67734602

IUPAC5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol
SMILESCc1ccsc1-c1ccc(-c2cc(O)c(O)s2)s1
InChIInChI=1S/C13H10O2S3/c1-7-4-5-16-12(7)10-3-2-9(17-10)11-6-8(14)13(15)18-11/h2-6,14-15H,1H3
InChIKeyLGUQCGVOHNOZEE-UHFFFAOYSA-N
MW294.42 g/mol
LogP4.92
Rot. Bonds2

About 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol

5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol (PubChem CID 67734602) has the molecular formula C13H10O2S3 and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol.

Molecular Properties

Compound Name5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol
PubChem CID67734602
Molecular FormulaC13H10O2S3
Molecular Weight294.42 g/mol
Exact Mass293.98
IUPAC Name5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol
SMILESCc1ccsc1-c1ccc(-c2cc(O)c(O)s2)s1
InChIInChI=1S/C13H10O2S3/c1-7-4-5-16-12(7)10-3-2-9(17-10)11-6-8(14)13(15)18-11/h2-6,14-15H,1H3
InChIKeyLGUQCGVOHNOZEE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol?
The IUPAC name of 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol (CID 67734602) is 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol.
What is the SMILES notation for 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol?
The canonical SMILES for 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol is Cc1ccsc1-c1ccc(-c2cc(O)c(O)s2)s1.
What is the InChIKey of 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol?
The InChIKey is LGUQCGVOHNOZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2S3/c1-7-4-5-16-12(7)10-3-2-9(17-10)11-6-8(14)13(15)18-11/h2-6,14-15H,1H3.
What are the key properties of 5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol?
5-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol 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-[5-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene-2,3-diol is sourced from PubChem (CID 67734602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).