Diethyl sulfoxide

HCID 6263

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Basic information

CAS: 70-29-1
Standard SMILES: CCS(=O)CC
InChIKey: CCAFPWNGIUBUSD-UHFFFAOYSA-N
Molecular formula: C4H10OS
Average molar mass: 106.19 g/mol
Monoisotopic mass: 106.04523611

Names & identifiers

Preferred name: Diethyl sulfoxide
IUPAC: 1-ethylsulfinylethane
English name: DIETHYL SULFOXIDE
Molecular formula: C4H10OS
Molecular weight: 106.19

Names & synonyms

Diethyl sulfoxide70-29-1Diethylsulfoxide(ethylsulfinyl)ethaneETHYL SULFOXIDEEthane, 1,1'-sulfinylbis-NSC-139125030Z61382MDTXSID70220253RefChem:133446DTXCID70142744200-732-2

Show more names

DesoDK872DKSI035(CH3CH2)2SODKFELEX0230ETHYLSULPHOXIDEDiethylsulfoxidDiaethylsulfoxid

1-ethylsulfinylethaneDiethyl sulphoxideEthane,1,1'-sulfinylbis-(ethanesulfinyl)ethane1,1'-Sulfinylbis(ethane)Diaethylsulfoxid [German]1,1'-SulphinylbisethaneMFCD01746459

Database identifiers

CAS: 70-29-1
PubChem CID: 6263
DTXSID: DTXSID70220253
ChEMBL: CHEMBL174477
UNII: 030Z61382M
EC Number: 200-732-2
Nikkaji: J5.244B

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 36.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 45

Physicochemical properties

Melting point: 14 °C · 14°C
Boiling point: 169.15 °C · 169.15°C (rough estimate)
Density: 1.0092 · 1.0092
refractive index: 1.592 · 1.5920 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: liquid
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3
InChIKey: CCAFPWNGIUBUSD-UHFFFAOYSA-N
SMILES: S(CC)(CC)=O
Surface tension: 34.6 mN/m · 34.6mN/m at 298.15K
EWG's Food Scores: 1 · 1
FDA UNII: 30 Z61382M · 030Z61382M
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338