Hydroxy-methyl-oxo-sulfanylidene-lambda6-sulfane (CED0229076)

Record Information

Version

1.0

Creation Date

2026-08-26 00:17:04 UTC

Update Date

2026-08-26 00:17:04 UTC

Accession Number

CHEM272731

Identification

Common Name

Hydroxy-methyl-oxo-sulfanylidene-lambda6-sulfane

Class

Small Molecule

Description

Hydroxy-methyl-oxo-sulfanylidene-lambda6-sulfane belongs to the organosulfur compounds, a superclass within the organic compounds. This compound has the chemical formula CH4O2S2 and an average molecular weight of 112.18 g/mol. It has been identified in or released from two recorded sources, specifically video games and electrical and electronic equipment such as line transmission systems.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

CH₄O₂S₂

Average Molecular Mass

112.180 g/mol

Monoisotopic Mass

111.965 g/mol

CAS Registry Number

44059-82-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/CH4O2S2/c1-5(2,3)4/h1H3,(H,2,3,4)

InChI Key

FHBSGPWHCCIQPG-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-03fr-6900000000-5a3760bc301b5a8126a3	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1900000000-bd08223e234b21f2a989	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-2900000000-1c868094f1633d79787a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03fr-9000000000-110101d9b61d1f53795e	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-4df4389521da0a64f0a8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-4df4389521da0a64f0a8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01t9-9500000000-9350bb994536ad518723	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
181.0	Log mg/kg	[100:320]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
525	Line Transmission Systems	Electrical & Electronic Equipment	Not Available
539	Video Games	Electrical & Electronic Equipment	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
631	Anthraquinone Dyes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	1553.09
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	2223.53
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	2691.95
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	2429.52
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	147.369
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	1158.94
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	151.183
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	1740.55
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	105.719
Click to view 3D structure	Aspartate-semialdehyde dehydrogenase	O25801	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	12.8451
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	Q9D358	Mus musculus	Predicted (SEA)	137.715
Click to view 3D structure	Low molecular weight phosphotyrosine protein phosphatase	P41498	Rattus norvegicus	Predicted (SEA)	137.715
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	843.652
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	5551.51
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	6720.57
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	926.094
Click to view 3D structure	Dual specificity protein phosphatase 6	Q16828	Humans	Predicted (SEA)	74.891
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	1199.11
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	1282.88
Click to view 3D structure	Seed linoleate 13S-lipoxygenase-1	P08170	Glycine max	Predicted (SEA)	723.764
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	4765.7
Click to view 3D structure	5-lipoxygenase	O49150	Solanum tuberosum	Predicted (SEA)	432.063
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	6331.48
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	6625.51
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	3631.98