methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate

C10H10O2S2 — CID 13293915

IUPACmethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate
SMILESCOC(=O)Cc1csc2sc(C)cc12
InChIInChI=1S/C10H10O2S2/c1-6-3-8-7(4-9(11)12-2)5-13-10(8)14-6/h3,5H,4H2,1-2H3
InChIKeyPHIFCIVZVVBTTJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.99
Rot. Bonds2

About methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate

methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate (PubChem CID 13293915) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate
PubChem CID13293915
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Namemethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate
SMILESCOC(=O)Cc1csc2sc(C)cc12
InChIInChI=1S/C10H10O2S2/c1-6-3-8-7(4-9(11)12-2)5-13-10(8)14-6/h3,5H,4H2,1-2H3
InChIKeyPHIFCIVZVVBTTJ-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-(1-benzothiophen-3-yl)acetate
CID 238124
3,5-Dimethylthieno[2,3-b]thiophene-2-carboxylic acid
CID 1211738
Diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
CID 11033401
Ethyl 2-(4-ethylthiophen-2-yl)acetate
CID 117949290
1-(5-Methylthieno[2,3-b]thiophen-3-yl)propan-2-one
CID 12522080
4,5-Dimethylselenopheno[2,3-b]thiophene-3-acetic acid
CID 12535712
Methyl 2-(4,6-diethylthieno[2,3-c]thiophen-3-yl)acetate
CID 15890749
Ethyl 6-formylthieno[2,3-c]thiophene-2-carboxylate
CID 125473110
3-Acetonylthieno[2,3-b]thiophene
CID 129783152
Thieno[3,4-b]-thiophene-3-acetic acid
CID 129785854
8-(2-Thenyl)-2-thiophenebutyric acid
CID 129812779
Ethyl 5-butylthieno[2,3-b]thiophene-4-carboxylate
CID 134967218

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate?
The IUPAC name of methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate (CID 13293915) is methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate?
The canonical SMILES for methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate is COC(=O)Cc1csc2sc(C)cc12.
What is the InChIKey of methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate?
The InChIKey is PHIFCIVZVVBTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-6-3-8-7(4-9(11)12-2)5-13-10(8)14-6/h3,5H,4H2,1-2H3.
What are the key properties of methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate?
methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate has a molecular weight of 226.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate is sourced from PubChem (CID 13293915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).