Tetramethylene sulfoxide
Basic information
- CAS
1600-44-8- Standard SMILES
O=S1CCCC1- InChIKey
ISXOBTBCNRIIQO-UHFFFAOYSA-N- Molecular formula
- C4H8OS
- Average molar mass
- 104.17 g/mol
- Monoisotopic mass
- 104.02958588
Overview
Tetrahydrothiophene 1-oxide is a member of tetrahydrothiophenes.
Names & identifiers
- Preferred name
- Tetramethylene sulfoxide
- IUPAC
- thiolane 1-oxide
- English name
- Tetramethylene sulfoxide
- Molecular formula
- C4H8OS
- Molecular weight
- 104.17
Names & synonyms
Tetramethylene sulfoxide1600-44-8tetrahydrothiophene 1-oxideThiolane 1-oxideThiophane oxideTetrahydrothiophene oxideTHIOPHENE, TETRAHYDRO-, 1-OXIDEThiophane monoxideTetramethylene sulphoxideFL7PF5FLM2DTXSID6061814NSC-65433
Show more names
thiophane1-oxidethiophanemonoxide1λ?-thiolan-1-oneThiophene sulfoxide
RefChem:897349DTXCID6035152216-493-2Thiophane 1-oxideTetrametylene sulfoxideMFCD00005477NSC 654331-thiolan-1-one
Database identifiers
- CAS
1600-44-8- PubChem CID
- 1128
- DTXSID
DTXSID6061814- ChEMBL
CHEMBL1207- ChEBI
CHEBI:138746- UNII
- FL7PF5FLM2
- EC Number
- 216-493-2
- Nikkaji
- J40.777A
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 61.9
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesSchoenflies notation
LogP-0.96
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Boiling point
- 235 · 235-237 °C(lit.)
- Density
- 1.158 g/mL · 1.158 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.52(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- Liquid
- color
- Clear colorless to yellow
- Water Solubility
- Fully miscible in water.
- BRN
- 105274 · 105274
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationThiophene, tetrahydro-, 1-oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 3,500 mg/kg; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Dimethyl sulfoxide.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XN0830000
- hs_code
- 29041000
- Toxicity
- mouse,LD50,intraperitoneal,3500mg/kg (3500mg/kg),International Journal of Radiation Biology and Related Studies in Physics, Chemistry and Medicine. Vol. 3, Pg. 41, 1961.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiophene, tetrahydro-, 1-oxide: ACTIVE
Applications
UsesIn a comparative study of aromatic fluorodenitration with Potassium fluoride, in several dipolar aprotic solvents, a much faster reaction rate was observed with DMSO or tetramethylene sulfoxide than with the more commonly used Sulfolane.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Tetrahydrothiophene 1-oxide is a member of tetrahydrothiophenes.
Related reactions
24 records
Compound notes
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