3-Mercaptopropionic Acid

CAS 107-96-0  ·  C3H6O2S  ·  MW 106.15 g/mol

Full record: 3-Mercaptopropionic Acid — Safety Data Sheet →

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3D model 3-Mercaptopropionic Acid, CAS 107-96-0, molecular formula C3H6O2S, molar mass 106.15 g/mol

Model views

  • 3-Mercaptopropionic Acid (CAS 107-96-0) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • 3-Mercaptopropionic Acid (CAS 107-96-0) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • 3-Mercaptopropionic Acid (CAS 107-96-0) – 2D structure, MolGod Viewer
    2D structure

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About 3-Mercaptopropionic Acid

3-Mercaptopropionic Acid is a chemical compound registered under number CAS 107-96-0, with the molecular formula C3H6O2S, and a molar mass of 106.15 g/mol.

The molecule contains 12 atoms connected by 11 chemical bonds. The full systematic IUPAC name of this compound is 3-sulfanylpropanoic acid. 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 = 0.4 (positive value, a lipophilic compound), polar surface area PSA = 38.3 Ų, 2 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC3H6O2S
Molar mass106.15 g/mol
IUPAC3-sulfanylpropanoic acid
SMILESC(CS)C(=O)O
InChIKeyDKIDEFUBRARXTE-UHFFFAOYSA-N
logP (XLogP3)0.4
PSA38.3 Ų
HBD / HBA2 / 3
PubChem CIDCID 6514 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06
GHS07
GHS07
GHS08
GHS08

H290 — May be corrosive to metals

H301 — Toxic if swallowed

H314 — Causes severe skin burns and eye damage

H318 — Causes serious eye damage

H332 — Harmful if inhaled

H335 — May cause respiratory irritation

H370 — Causes damage to organs

Scientific literature

Related literature

3 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 3)

2002: number of articles 120022016: number of articles 120162022: number of articles 12022

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
3-MERCAPTOPROPIONIC ACID · 3-Mercaptopropanoic acid · 107-96-0 · 3-Sulfanylpropanoic acid · 3-Thiopropanoic acid · 3-Thiopropionic acid · beta-Mercaptopropionic acid · Propanoic acid, 3-mercapto- · 3MPA · 2-Mercaptoethanecarboxylic acid · beta-Thiopropionic acid · Thiohydracrylic acid · beta-Mercaptopropanoic acid · Propionic acid, 3-mercpato- · 3 Mercaptopropionic Acid
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
3-Mercaptopropionic Acid · 107-96-0
InChIKey
DKIDEFUBRARXTE-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — 3-Mercaptopropionic Acid (CAS 107-96-0)
License & provenance record
3-Mercaptopropionic Acid (CAS 107-96-0) →
MolGod molecule record
3-Mercaptopropionic Acid →
Source data
PubChem CID 6514 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
fbc4cd56d8478eb8ec80654a1349fc38c14d15e1416f8363efa726746755bff0
MD5 (STL)
df4574fcc9db7f14f2722b86d97d5367
MolGod Identification Number
MG_817-884-626-20
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.24071961) · Wikimedia Commons
Source structure: PubChem (CID 6514)
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