ChemicalBook--->CAS DataBase List--->21668-81-5

21668-81-5

21668-81-5 Structure

21668-81-5 Structure
IdentificationMore
[Name]

3-S-Isothiuronium propyl sulfonate
[CAS]

21668-81-5
[Synonyms]

3-(AMIDINOTHIO)-1-PROPANESULFONIC ACID
3-[(AMINO-IMINOMETHYL)-THIO]-1-PROPANESULFONIC ACID
3-S-Isothiuronium propyl sulfonate
UPS
3-[(aminoiminomethyl)thio]-1-propanesulfonicaci
3-S-Isothiuronium propane sulfonate
3-[(aminoiminomethyl)thio]propanesulphonic acid
UpsElectrolessPlating3-S-IsothiuroniumPropylsulfonate
UK(UROKINASE)
[EINECS(EC#)]

244-520-8
[Molecular Formula]

C4H10N2O3S2
[MDL Number]

MFCD00085942
[Molecular Weight]

198.26
[MOL File]

21668-81-5.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

240 °C
[Boiling point ]

276.6℃ at 101.325kPa
[density ]

1.61±0.1 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

water: soluble25mg/mL, clear, colorless
[form ]

Solid:particulate/powder
[pka]

1.54±0.50(Predicted)
[color ]

White to Almost white
[biological source]

human
[InChI]

InChI=1S/C4H10N2O3S2/c5-4(6)10-2-1-3-11(7,8)9/h1-3H2,(H3,5,6)(H,7,8,9)
[InChIKey]

MQLJIOAPXLAGAP-UHFFFAOYSA-N
[SMILES]

C(S(O)(=O)=O)CCSC(N)=N
[LogP]

-2
[Surface tension]

72.9mN/m at 1g/L and 20.2℃
[CAS DataBase Reference]

21668-81-5(CAS DataBase Reference)
[EPA Substance Registry System]

21668-81-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P305+P351+P338-P310
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Eye Dam. 1
Repr. 1B
Resp. Sens. 1
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

The Proteomics Dynamic Range Standard Set can be used to standardize and/or evaluate mass spectrometric (e.g., LC-MS/MS, MALDI-TOF-MS, etc.) and electrophoretic analysis conditions prior to the analysis of complex protein samples. UPS2 can be used to bracket precious experimental data sets between runs of a known complex standard sample. This allows confirmation of the robustness of the analysis method and stability of the instrument employed. Additionally, laboratories generating or comparing mass spectrometric data derived from poorly defined samples can use UPS2 as an external reference to assist with the evaluation of results and experimental methodology.
Proteomics Dynamic Range Standard Set has been used for the quantification of dynamic range universal protein standard on Orbitrap Analyzer using all ion fragmentation. It has been used as a standard for intensity-based absolute quantification of proteins (iBAQ) in LC-MS (liquid chromatography-mass spectrometry)/MS analysis.
[Application]

Research has shown that 3-S-Isothiuronium propyl sulfonate(UPS)improves bath stability and increases the reaction activation energy. At lower concentration, UPS is an effective accelerator for EN deposition; whereas, at higher concentration, it decreases deposition rate. Moreover, UPS decreases the phosphorus content in Ni-P deposit and can be adsorbed on the deposit surface and compound with Ni2+.
[Definition]

quadrupole: A set of four pointcharges that has zero net charge anddipole moment. An example of aquadrupole is a carbon dioxide (CO2)molecule. Quadrupole interactionsare much smaller than dipole interactions.Transitions involvingquadrupole moments are muchweaker than transitions involving dipolemoments, but can allow transitionsforbidden in dipole momenttransitions.
[General Description]

The Proteomics Dynamic Range Standard Set is produced from a mixture of 48 individual human source or human sequence recombinant proteins, each of which has been selected to limit heterogeneous post-translational modifications (PTMs). The protein standard is formulated from 6 mixtures of 8 proteins to present a dynamic range of 5 orders of magnitude, ranging from 50 pmoles to 500 amoles. Each protein has been quantitated by amino acid analysis (AAA) prior to formulation.
[Synthesis]

(1) Mixing 42.04g of monocyanamide crystals and 57.5ml of glacial acetic acid;

(2) Addition -5°C to the above mixed solution of monocyanamide and acetic acid passes through the methyl mercaptan gas, the reaction for 5 hours;

(3) Replaceme

Spectrum DetailBack Directory
[Spectrum Detail]

3-S-Isothiuronium propyl sulfonate(21668-81-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(Amidinothio)-1-propanesulfonic acid, 96%(21668-81-5)
[Sigma Aldrich]

21668-81-5(sigmaaldrich)
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