Thiodiglycolic anhydride (CAS 3261-87-8)

1,4-Oxathiane-2,6-dione

CAS 3261-87-8  ·  C4H4O3S  ·  MW 132.14 g/mol

Loading molecule...
3D model 3261-87-8, CAS 3261-87-8, molecular formula —
About Thiodiglycolic anhydride (CAS 3261-87-8)

Thiodiglycolic anhydride (CAS 3261-87-8) is a chemical compound registered under number CAS 3261-87-8, with the molecular formula C4H4O3S, and a molar mass of 132.14 g/mol.

The molecule contains 12 atoms connected by 12 chemical bonds. The full systematic IUPAC name of this compound is 1,4-oxathiane-2,6-dione. 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 = 68.7 Ų, 0 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
Wzór sumarycznyC4H4O3S
Masa molowa132.14 g/mol
IUPAC1,4-oxathiane-2,6-dione
SMILESC1C(=O)OC(=O)CS1
InChIKeyRIIUAPMWDSRBSH-UHFFFAOYSA-N
logP (XLogP3)0.4
PSA68.7 Ų
HBD / HBA0 / 4
PubChem CIDCID 137871 ↗
GHS safety

Sygnał: Niebezpieczeństwo

GHS05
GHS05
GHS07
GHS07
Scientific literature

Brak artykułów naukowych dla CAS 3261-87-8 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
1,4-Oxathiane-2,6-dione · 3261-87-8 · RefChem:416984 · 608-761-6 · Thiodiglycolic anhydride · MFCD00051689 · NSC147625 · C4H4O3S · 1-Oxa-4-thia-cyclohexan-2,6-dione · NSC 147625 · SCHEMBL2527775 · 1,4-Oxathiane-2,6-dione # · DAA26187 · STR03033 · Thiodiglycolic anhydride, AldrichCPR
Data sources
Buy in the shop
Related molecules