3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid

Basic Information

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CAS Number

21668-81-5

Molecular Formula

C4H10N2O3S2

Molecular Weight

198.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

257°C

Boiling Point

°Cat760mmHg

Density

1.61

Solubility

water: soluble25mg/mL, clear, colorless

Refractive Index

1.623

SMILES

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C(CSC(=N)N)CS(=O)(=O)O

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

LogP

-0.1090299999999998

Topological Polar Surface Area

104.24 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

218

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

1-Propanesulfonic acid, 3-((aminoiminomethyl)thio)-
UPS(OiAoea+/-u>>CEaAUNI)
D78182
A815590
FT-0658133
DTXSID70865007
CS-W015652
NS00050444
SCHEMBL422082
3-S-Isothiuronium propyl sulfonate
3-((Aminoiminomethyl)thio)propanesulphonic acid
1-Propanesulfonic acid, 3-[(aminoiminomethyl)thio]-
21668-81-5
AS-15156
3-(Carbamimidoylthio)propane-1-sulfonic acid
EN300-1720729
3-(Amidinothio)-1-propanesulfonic acid
EINECS 244-520-8
3-(Carbamimidoylthio)propane-1-sulfonicacid
MFCD00085942
C4H10N2O3S2
3-(Amidinothio)-1-propanesulfonic acid, 97%
3-S-Isothiuroniumpropylsulfonate
3-(carbamimidoylthio)-1-propanesulfonic acid
3-carbamimidoylsulfanylpropane-1-sulfonic acid
3-(carbamimidoylsulfanyl)propane-1-sulfonic acid
J-014225
C2982
AKOS015897506
3-(amidinothio)-1-propanesulfonic acid
UPS

MDL Number

MFCD00085942

Customs Code

2930909090

FAQ

What is 3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid (CAS: 21668-81-5)?

3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid (CAS: 21668-81-5) is a sulfonic acid derivative with a carbamimidoylsulfanyl functional group. Its chemical formula is C5H10N2O3S2, and it exhibits acidic properties due to the sulfonic acid moiety. This compound is typically a white crystalline solid, highly soluble in water, and has a pKa value around 1.5-2.5. It is used in various chemical applications.

What are the main uses of 3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid (CAS: 21668-81-5)?

3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid (CAS: 21668-81-5) is primarily used in pharmaceuticals as a building block for drug development, in industrial processes for surfactant synthesis, and in research for modifying polymers or biomolecules. It also finds applications in food science as a stabilizer and in environmental chemistry for pH regulation.

Is 3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid (CAS: 21668-81-5) safe?

3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid (CAS: 21668-81-5) is generally considered safe when handled properly. It may cause mild skin or eye irritation, so protective gloves and goggles are recommended. Safety standards emphasize avoiding inhalation of dust and ensuring adequate ventilation. It is not classified as highly toxic but requires standard chemical handling precautions.

How should 3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid (CAS: 21668-81-5) be stored?

Store 3-(Carbamimidoylsulfanyl)-1-propanesulfonic acid (CAS: 21668-81-5) in a cool, dry place (ideally 2-8°C), away from light and moisture. Use airtight, corrosion-resistant containers to maintain stability. Avoid exposure to air and ensure proper labeling. It remains chemically stable under these conditions but should be kept sealed to prevent degradation.