3-(Carbamimidoylsulfanyl)propanoic acid

Basic Information

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CAS Number

5398-29-8

Molecular Formula

C4H8N2O2S

Molecular Weight

148.19 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

SMILES

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O=C(O)CCSC(N)=N

InChI

InChI=1S/C4H8N2O2S/c5-4(6)9-2-1-3(7)8/h1-2H2,(H3,5,6)(H,7,8)

InChIKey

ICCLGNPZARKJKF-UHFFFAOYSA-N

LogP

0.08777000000000007

Topological Polar Surface Area

87.16999999999999 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Synonyms & References

English

3-Isothioureidopropionic acid
ATPN
3-(Amidinothio)propionic acid
3-[(Aminoiminomethyl)thio]-propanoic acid
S-Carboxyethylisothiuronium betaine
3-[(Aminoiminomethyl)-thio]-propionic acid
3-carbamimidoylmercapto-propionic acid
3-Carbamimidoylmercapto-propionsaeure
3-carbamimidoylsulfanylpropanoic acid
3-Isothioureido-propionsaeure
Propanoic acid,3-(aminoiminomethyl)thio
S-Carboxyethylisothiuroniumbetaine(ATPN)
S-Guanyl-thiohydracrylsaeure
3-amidinothiopropanoic acid

MDL Number

MFCD00020520

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 3-(Carbamimidoylsulfanyl)propanoic acid (CAS: 5398-29-8)?

The storage, handling, and disposal of 3-(Carbamimidoylsulfanyl)propanoic acid (CAS: 5398-29-8) must comply with regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and FDA and EPA requirements in the US. It is classified as a hazardous substance due to its reactivity and potential for skin and eye irritation.

Are there alternatives to 3-(Carbamimidoylsulfanyl)propanoic acid (CAS: 5398-29-8) in synthesis?

Several alternatives to 3-(Carbamimidoylsulfanyl)propanoic acid (CAS: 5398-29-8) exist in synthesis, including similar compounds like 3-aminopropanoic acid and 3-mercaptoacrylic acid. These alternatives can provide similar functional groups for different reactions, depending on the specific needs of the synthesis process.

What is the market or research trend for 3-(Carbamimidoylsulfanyl)propanoic acid (CAS: 5398-29-8)?

The market for 3-(Carbamimidoylsulfanyl)propanoic acid (CAS: 5398-29-8) is growing, driven by its use in pharmaceuticals and as a building block in organic synthesis. Research trends focus on its applications in drug discovery and development, as well as in the synthesis of new materials. The demand is expected to increase with ongoing advancements in these fields.

How should waste containing 3-(Carbamimidoylsulfanyl)propanoic acid (CAS: 5398-29-8) be handled?

Waste containing 3-(Carbamimidoylsulfanyl)propanoic acid (CAS: 5398-29-8) should be collected and disposed of according to local and international regulations. Safe handling procedures include proper containment to prevent spills, neutralization of acidic or basic waste, and incineration or professional waste disposal by a licensed facility. Environmental precautions include ensuring no contamination of water sources during disposal processes.