Propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate

CAS 57296-04-5  ·  C8H16O3S  ·  MW 192.28 g/mol

Loading molecule...
3D model Propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate, CAS 57296-04-5, molecular formula C8H16O3S, molar mass 192.28 g/mol
About Propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate

Propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate is a chemical compound registered under number CAS 57296-04-5, with the molecular formula C8H16O3S, and a molar mass of 192.28 g/mol.

The molecule contains 28 atoms connected by 27 chemical bonds. The full systematic IUPAC name of this compound is propan-2-yl 2-hydroxy-4-methylsulfanylbutanoate. 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 = 1.3 (positive value, a lipophilic compound), polar surface area PSA = 71.8 Ų, 1 donors and 4 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.

Physicochemical properties
Molecular formulaC8H16O3S
Masa molowa192.28 g/mol
IUPACpropan-2-yl 2-hydroxy-4-methylsulfanylbutanoate
SMILESCC(C)OC(=O)C(CCSC)O
InChIKeyHTDCLHZBSWMJGI-UHFFFAOYSA-N
logP (XLogP3)1.3
PSA71.8 Ų
HBD / HBA1 / 4
PubChem CIDCID 10130325 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

20 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (20 articles)

1986: 1 articles19861999: 1 articles2004: 7 articles2012: 1 articles2014: 1 articles2020: 1 articles20202021: 1 articles2022: 2 articles2024: 2 articles2025: 2 articles2025

Bar height = number of articles per year. Hover dla szczegółów.

ALADI. Comité de Coordinación y Negociaciones. Subcomité 5: Transporte y Comunicaciones (1986) · ALADI. Secretaría General
$ Paywall

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate · RefChem:868675 · 841-628-2 · 57296-04-5 · propan-2-yl 2-hydroxy-4-methylsulfanylbutanoate · Butanoic acid, 2-hydroxy-4-(methylthio)-, 1-methylethyl ester · AGN-PC-0OHP7Y · 2-hydroxy-4-(methylthio)butanoic acid isopropyl ester · SCHEMBL4054035 · HCA29604 · Isopropyl 2-hydroxy-4-(methylthio)butanoate · NS00122069 · isopropyl 2-hydroxy-4-methylsulfanyl-butanoate · EN300-7440385 · 2-hydroxy-4-(methylthio)-butanoic acid isopropyl ester
Data sources
Related molecules
—
License & Provenance

MolGod 3D molecular model
Propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate — CAS 57296-04-5

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate (CAS 57296-04-5) — License & Provenance

Source:
Propan-2-yl 2-hydroxy-4-(methylsulfanyl)butanoate (CAS 57296-04-5) — MolGod molecule record

Source data: PubChem CID 10130325

STL: Download 3D model (564 KB)

SHA-256: 52763de2ad101e52bb888dec0d7b790d6497aefc195dbd72a37cce12599faa96

Wikimedia Commons: not published yet

Source data: PubChem CID 10130325

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.