2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid)

CAS 355120-40-0  ·  C9H14O4S3  ·  MW 282.4 g/mol

Loading molecule...
3D model 2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid), CAS 355120-40-0, molecular formula C9H14O4S3, molar mass 282.4 g/mol
About 2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid)

2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid) is a chemical compound registered under number CAS 355120-40-0, with the molecular formula C9H14O4S3, and a molar mass of 282.4 g/mol.

The molecule contains 30 atoms connected by 29 chemical bonds. The full systematic IUPAC name of this compound is 2-(2-carboxypropan-2-ylsulfanylcarbothioylsulfanyl)-2-methylpropanoic 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 = 2.6 (positive value, a lipophilic compound), polar surface area PSA = 157 Ų, 2 donors and 7 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 formulaC9H14O4S3
Masa molowa282.4 g/mol
IUPAC2-(2-carboxypropan-2-ylsulfanylcarbothioylsulfanyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)SC(=S)SC(C)(C)C(=O)O
InChIKeyKFNUBPMMXWWWGU-UHFFFAOYSA-N
logP (XLogP3)2.6
PSA157 Ų
HBD / HBA2 / 7
PubChem CIDCID 12135681 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

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

Synonyms
355120-40-0 · 2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid) · RefChem:440147 · 815-383-7 · 2,2'-[CARBONOTHIOYLBIS(THIO)]BIS[2-METHYLPROPANOIC ACID] · Propanoic acid, 2,2'-[carbonothioylbis(thio)]bis[2-methyl- · MFCD10698866 · 2,2'-[(Thioxomethylene)disulfanyl]bis(2-methylpropanoic acid) · 2-(2-carboxypropan-2-ylsulfanylcarbothioylsulfanyl)-2-methylpropanoic acid · S,S'-Bis(a,a'-dimethyl-a''-acetic acid)trithiocarbonate · SCHEMBL760267 · C9H14O4S3 · AKOS028108844 · 2-({[(1-CARBOXY-1-METHYLETHYL)SULFANYL]METHANETHIOYL}SULFANYL)-2-METHYLPROPANOIC ACID · AS-93635
Data sources
Related molecules
—
License & Provenance

MolGod 3D molecular model
2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid) — CAS 355120-40-0

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

MolGod License & Provenance Record:
2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid) (CAS 355120-40-0) — License & Provenance

Source:
2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid) (CAS 355120-40-0) — MolGod molecule record

Source data: PubChem CID 12135681

STL: Download 3D model (605 KB)

SHA-256: b681caa905884fe4463857db536bf1a1f3276ea504679cc4bacf03ae1ad54629

Wikimedia Commons: not published yet

Source data: PubChem CID 12135681

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