(3-thiophen-2-ylthiophen-2-yl) acetate

C10H8O2S2 — CID 174391854

IUPAC(3-thiophen-2-ylthiophen-2-yl) acetate
SMILESCC(=O)Oc1sccc1-c1cccs1
InChIInChI=1S/C10H8O2S2/c1-7(11)12-10-8(4-6-14-10)9-3-2-5-13-9/h2-6H,1H3
InChIKeyUQMRWQWKKSOJSH-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.40
Rot. Bonds2

About (3-thiophen-2-ylthiophen-2-yl) acetate

(3-thiophen-2-ylthiophen-2-yl) acetate (PubChem CID 174391854) has the molecular formula C10H8O2S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is (3-thiophen-2-ylthiophen-2-yl) acetate.

Molecular Properties

Compound Name(3-thiophen-2-ylthiophen-2-yl) acetate
PubChem CID174391854
Molecular FormulaC10H8O2S2
Molecular Weight224.31 g/mol
Exact Mass224.00
IUPAC Name(3-thiophen-2-ylthiophen-2-yl) acetate
SMILESCC(=O)Oc1sccc1-c1cccs1
InChIInChI=1S/C10H8O2S2/c1-7(11)12-10-8(4-6-14-10)9-3-2-5-13-9/h2-6H,1H3
InChIKeyUQMRWQWKKSOJSH-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-thiophen-2-ylthiophen-2-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-thiophen-2-ylphenyl) acetate
CID 18387761
thiophen-2-yl acetate
CID 23617313
(2-methyl-4-thiophen-2-ylphenyl) acetate
CID 174371049
(3-propylthiophen-2-yl) acetate
CID 151443720
2-methoxy-2-(2-thiophen-2-ylphenyl)acetic acid
CID 155667396
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
(2,5-dioxopyrrolidin-1-yl) 7-acetyloxy-2-oxo-3-thiophen-2-ylchromene-6-carboxylate
CID 88872215
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
2-amino-N,N-dimethyl-4-thiophen-2-ylthiophene-3-carboxamide
CID 82056963
methyl 7-hydroxy-4-thiophen-2-yl-1-benzothiophene-6-carboxylate
CID 135020771

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-ylthiophen-2-yl) acetate?
The IUPAC name of (3-thiophen-2-ylthiophen-2-yl) acetate (CID 174391854) is (3-thiophen-2-ylthiophen-2-yl) acetate.
What is the SMILES notation for (3-thiophen-2-ylthiophen-2-yl) acetate?
The canonical SMILES for (3-thiophen-2-ylthiophen-2-yl) acetate is CC(=O)Oc1sccc1-c1cccs1.
What is the InChIKey of (3-thiophen-2-ylthiophen-2-yl) acetate?
The InChIKey is UQMRWQWKKSOJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S2/c1-7(11)12-10-8(4-6-14-10)9-3-2-5-13-9/h2-6H,1H3.
What are the key properties of (3-thiophen-2-ylthiophen-2-yl) acetate?
(3-thiophen-2-ylthiophen-2-yl) acetate has a molecular weight of 224.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-ylthiophen-2-yl) acetate is sourced from PubChem (CID 174391854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).