2-(2,5-dimethylthiophen-3-yl)acetate

C8H9O2S- — CID 23381923

IUPAC2-(2,5-dimethylthiophen-3-yl)acetate
SMILESCc1cc(CC(=O)[O-])c(C)s1
InChIInChI=1S/C8H10O2S/c1-5-3-7(4-8(9)10)6(2)11-5/h3H,4H2,1-2H3,(H,9,10)/p-1
InChIKeyZOFRUWPIASCICK-UHFFFAOYSA-M
MW169.22 g/mol
LogP0.66
Rot. Bonds2

About 2-(2,5-dimethylthiophen-3-yl)acetate

2-(2,5-dimethylthiophen-3-yl)acetate (PubChem CID 23381923) has the molecular formula C8H9O2S- and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)acetate.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)acetate
PubChem CID23381923
Molecular FormulaC8H9O2S-
Molecular Weight169.22 g/mol
Exact Mass169.03
IUPAC Name2-(2,5-dimethylthiophen-3-yl)acetate
SMILESCc1cc(CC(=O)[O-])c(C)s1
InChIInChI=1S/C8H10O2S/c1-5-3-7(4-8(9)10)6(2)11-5/h3H,4H2,1-2H3,(H,9,10)/p-1
InChIKeyZOFRUWPIASCICK-UHFFFAOYSA-M
XLogP0.66
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylthiophen-3-yl)acetamide
CID 24973291
2-(2,5-dimethylthiophen-3-yl)acetaldehyde
CID 64868768
1-(2,5-dimethylthiophen-3-yl)butan-2-ol
CID 145366912
1-(2,5-dimethylthiophen-3-yl)-2-methylpropan-1-one
CID 15761215
2-(2,5-dimethylthiophen-3-yl)-1-piperidin-1-ylethanethione
CID 24973292
4-(2,5-dimethylthiophen-3-yl)butane-1-sulfonic acid
CID 121369337
N-tert-butyl-2-[(2,5-dimethylthiophen-3-yl)methylamino]acetamide
CID 80712468
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)acetamide
CID 166220441
2-(5-chloro-2-methylthiophen-3-yl)acetic acid
CID 82656179
3-(2,5-dimethylthiophen-3-yl)propan-1-amine
CID 55266682
S-[2-(2,5-dimethylthiophen-3-yl)ethyl] (E)-3-phenylprop-2-enethioate
CID 58288682
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)acetate?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)acetate (CID 23381923) is 2-(2,5-dimethylthiophen-3-yl)acetate.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)acetate?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)acetate is Cc1cc(CC(=O)[O-])c(C)s1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)acetate?
The InChIKey is ZOFRUWPIASCICK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O2S/c1-5-3-7(4-8(9)10)6(2)11-5/h3H,4H2,1-2H3,(H,9,10)/p-1.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)acetate?
2-(2,5-dimethylthiophen-3-yl)acetate has a molecular weight of 169.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)acetate is sourced from PubChem (CID 23381923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).