[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate

C15H12O2S3 — CID 5321832

IUPAC[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C15H12O2S3/c1-10(16)17-9-11-4-5-14(19-11)15-7-6-13(20-15)12-3-2-8-18-12/h2-8H,9H2,1H3
InChIKeyCGONEINYOMPEIT-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.27
Rot. Bonds4

About [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate

[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate (PubChem CID 5321832) has the molecular formula C15H12O2S3 and a molecular weight of 320.46 g/mol. Its IUPAC name is [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate
PubChem CID5321832
Molecular FormulaC15H12O2S3
Molecular Weight320.46 g/mol
Exact Mass320.00
IUPAC Name[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C15H12O2S3/c1-10(16)17-9-11-4-5-14(19-11)15-7-6-13(20-15)12-3-2-8-18-12/h2-8H,9H2,1H3
InChIKeyCGONEINYOMPEIT-UHFFFAOYSA-N
XLogP5.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate?
The IUPAC name of [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate (CID 5321832) is [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate.
What is the SMILES notation for [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate?
The canonical SMILES for [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate is CC(=O)OCc1ccc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate?
The InChIKey is CGONEINYOMPEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S3/c1-10(16)17-9-11-4-5-14(19-11)15-7-6-13(20-15)12-3-2-8-18-12/h2-8H,9H2,1H3.
What are the key properties of [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate?
[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate has a molecular weight of 320.46 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl acetate is sourced from PubChem (CID 5321832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).