methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate

C12H12O4S2 — CID 146300530

IUPACmethyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1cc2sc(CC(=O)OC)cc2s1
InChIInChI=1S/C12H12O4S2/c1-15-11(13)5-7-3-9-10(17-7)4-8(18-9)6-12(14)16-2/h3-4H,5-6H2,1-2H3
InChIKeyJOWBYLNJQZVLLC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.39
Rot. Bonds4

About methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate

methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate (PubChem CID 146300530) has the molecular formula C12H12O4S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate
PubChem CID146300530
Molecular FormulaC12H12O4S2
Molecular Weight284.36 g/mol
Exact Mass284.02
IUPAC Namemethyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate
SMILESCOC(=O)Cc1cc2sc(CC(=O)OC)cc2s1
InChIInChI=1S/C12H12O4S2/c1-15-11(13)5-7-3-9-10(17-7)4-8(18-9)6-12(14)16-2/h3-4H,5-6H2,1-2H3
InChIKeyJOWBYLNJQZVLLC-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate (CID 146300530) is methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate is COC(=O)Cc1cc2sc(CC(=O)OC)cc2s1.
What is the InChIKey of methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate?
The InChIKey is JOWBYLNJQZVLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4S2/c1-15-11(13)5-7-3-9-10(17-7)4-8(18-9)6-12(14)16-2/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate?
methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate has a molecular weight of 284.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-methoxy-2-oxoethyl)thieno[3,2-b]thiophen-2-yl]acetate is sourced from PubChem (CID 146300530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).