1,4-Butane sultone

CAS 1633-83-6 · C₄H₈O₃S · MW 136.17 g/mol

Full record: 1,4-Butane sultone — Safety Data Sheet →

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1,4-Butane sultone (CAS 1633-83-6), C4H8O3S - 3D ball-and-stick molecular model, engraved element symbols (C H O S), MolGod STL preview

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1,4-Butane sultone (CAS 1633-83-6), C4H8O3S - 3D ball-and-stick molecular model, MolGod STL preview

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About 1,4-Butane sultone

1,4-Butane sultone is a chemical compound registered under number CAS 1633-83-6, with the molecular formula C₄H₈O₃S, and a molar mass of 136.17 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is oxathiane 2,2-dioxide. 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 = 0.1 (positive value, a lipophilic compound), polar surface area PSA = 51.8 Å², 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₄H₈O₃S
Molar mass	136.17 g/mol
IUPAC	oxathiane 2,2-dioxide
SMILES	`C1CCS(=O)(=O)OC1`
InChIKey	`MHYFEEDKONKGEB-UHFFFAOYSA-N`
logP (XLogP3)	0.1
PSA	51.8 Å²
HBD / HBA	0 / 3
PubChem CID	CID 15411 ↗

GHS safety

Signal word: Warning

GHS07

GHS07

GHS08

GHS08

H302 — Harmful if swallowed

H351 — Suspected of causing cancer

Scientific literature

Related literature

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

📈 Publication timeline (number of articles: 3)

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

On the reaction kinetics in water of 1,3-propane sultone and 1,4-butane sultone: a comparison of reaction rates and mutagenic activities of some alkylating agents.

Osterman-Golkar S, Wachtmeister CA (1976) · Chemico-biological interactions

$ PaywallDOI ↗PubMed ↗

Butane Sultone 1633‐83‐6

(2004) · Sax's Dangerous Properties of Industrial Materials

$ PaywallDOI ↗

Butane Sultone 1633‐83‐6

(2012) · Sax's Dangerous Properties of Industrial Materials

$ PaywallDOI ↗

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

Synonyms

1,4-BUTANE SULTONE · 1,4-Butanesultone · Butane sultone · 1,2-Oxathiane, 2,2-dioxide · 1,2-Oxathiane 2,2-dioxide · Butanesultone · Butanesulfone · 1,4-Butylene sulfone · 1,4-Butanesulfone · 1(4)-Butanesultone · BRN 0110588 · HSDB 5846 · UNII-4E0C1CLI2C · EINECS 216-647-9 · NSC 71999

Data sources

📊 PubChem CID 15411 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Cyclonite (CAS 121-82-4) CAS 121-82-4 · C3H6N6O6 Shared hazard H351 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione CAS 17796-82-6 · C14H15NO2S Shared hazard H351 Methyl Isobutyl Ketone CAS 108-10-1 · C6H12O Shared hazard H351 Furfural CAS 98-01-1 · C5H4O2 Shared hazard H351 Isophorone CAS 78-59-1 · C9H14O Shared hazard H351 Allyl glycidyl ether CAS 106-92-3 · C6H10O2 Shared hazard H351

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: 1,4-Butane sultone · 1633-83-6
InChIKey: MHYFEEDKONKGEB-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 1,4-Butane sultone (CAS 1633-83-6)
License & provenance record: 1,4-Butane sultone (CAS 1633-83-6) →
MolGod molecule record: 1,4-Butane sultone →
Source data: PubChem CID 15411 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 7f700e4a7de8825c13af143aa35a9a6f0088375a230bbe5ce6f99c4b38ef53ef
MD5 (STL): 2d7b1aede97b73c97fe00a732f9d2fc7
MolGod Identification Number: MG_685-272-401-22
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

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