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

C13H12O3S2 — CID 10423798

IUPACmethyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(C(C)=O)s2)s1
InChIInChI=1S/C13H12O3S2/c1-8(14)10-5-6-12(18-10)11-4-3-9(17-11)7-13(15)16-2/h3-6H,7H2,1-2H3
InChIKeyACZOFGNAUASFFB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.39
Rot. Bonds4

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

methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate (PubChem CID 10423798) has the molecular formula C13H12O3S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate
PubChem CID10423798
Molecular FormulaC13H12O3S2
Molecular Weight280.37 g/mol
Exact Mass280.02
IUPAC Namemethyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(C(C)=O)s2)s1
InChIInChI=1S/C13H12O3S2/c1-8(14)10-5-6-12(18-10)11-4-3-9(17-11)7-13(15)16-2/h3-6H,7H2,1-2H3
InChIKeyACZOFGNAUASFFB-UHFFFAOYSA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate (CID 10423798) is methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(-c2ccc(C(C)=O)s2)s1.
What is the InChIKey of methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate?
The InChIKey is ACZOFGNAUASFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3S2/c1-8(14)10-5-6-12(18-10)11-4-3-9(17-11)7-13(15)16-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate?
methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate has a molecular weight of 280.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(5-acetylthiophen-2-yl)thiophen-2-yl]acetate is sourced from PubChem (CID 10423798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).