Methyl (methylthio)acetate

Methyl (methylthio)acetate is a chemical compound registered under number CAS 16630-66-3, with the molecular formula C₄H₈O₂S, and a molar mass of 120.17 g/mol.

The molecule contains 15 atoms connected by 14 chemical bonds. The full systematic IUPAC name of this compound is methyl 2-methylsulfanylacetate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.8 (positive value, a lipophilic compound), polar surface area PSA = 51.6 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Molecular formula	C4H8O2S
Masa molowa	120.17 g/mol
IUPAC	methyl 2-methylsulfanylacetate
SMILES	COC(=O)CSC
InChIKey	HZYCAKGEXXKCDM-UHFFFAOYSA-N
logP (XLogP3)	0.8
PSA	51.6 Ų
HBD / HBA	0 / 3
PubChem CID	CID 85522 ↗

Signal word: Warning

Methyl (methylthio)acetate · 16630-66-3 · Methyl 2-(methylthio)acetate · methyl 2-methylsulfanylacetate · methyl 2-(methylsulfanyl)acetate · Acetic acid, (methylthio)-, methyl ester · (Methylthio)acetic Acid Methyl Ester · Methyl (methylithio)acetate · Acetic acid, 2-(methylthio)-, methyl ester · methyl methylthioacetate · GN58C28ML9 · UNII-GN58C28ML9 · EINECS 240-683-4 · FEMA NO. 4003 · METHYL METHYLSULFANYLACETATE

• 📊 PubChem CID 85522 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność