3-Sulfanyl-L-valine

Basic Information

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CAS Number

52-66-4

Molecular Formula

C5H11NO2S

Molecular Weight

149.22 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

212 ºC (dec.)

Boiling Point

251.8±35.0 ºC (760 Torr),

Water Solubility

Soluble in ethanol, hot water and sodium hydroxide.

Flash Point

106.1±25.9 ºC,

Refractive Index

1.5216 (estimate)

SMILES

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CC(C)(C(C(=O)O)N)S

InChI

InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1

InChIKey

VVNCNSJFMMFHPL-GSVOUGTGSA-N

LogP

0.10669999999999985

pKa

pK: 1.8 (carboxyl); 7.9 (a-amino); 10.5 (b-thiol)

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

124

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

thermally sensitive

Toxicity

LD50 orally in rats: 365 mg/kg (Jaffe)

Synonyms & References

English

2-Amino-3-mercapto-3-methylbutanoic acid
SBI-0051475.P003
AB00052067_11
SR-05000001692
A,
HMS3714E05
D,L-Penicillamine
NSC-81988
NSC22880
CHEMBL13239
NS00080914
Valine, 3-mercapto-, L-
l-3-Mercaptovaline
beta,beta-Dimethyl-DL-cysteine, DL-2-Amino-3-mercapto-3-methylbutanoic acid
(+/-)-penicillamine
L-(+)-2-Amino-3-mercapto-3-methylbutanoic acid
NSC 44656
dl-beta,beta-Dimethylcysteine
3,3-dimethylcysteine
D-Penicyllamine
NSC241261
CHEBI:50868
P-1290
AB00375988-03
NCI60_001936
SPECTRUM1500464
NCGC00018283-03
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acidL-beta,beta-Dimethylcysteine
HMS1920F10
HMS3259K09
2-amino-3-methyl-3-sulfanylbutanoic acid

MDL Number

MFCD00004856

FAQ

What regulatory guidelines apply to 3-Sulfanyl-L-valine (CAS: 52-66-4)?

3-Sulfanyl-L-valine (CAS: 52-66-4) is subject to several regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is classified based on its physical and chemical properties. In the European Union, it falls under REACH regulations, and in the United States, it is regulated by the EPA. FDA regulations may also apply if it is used in pharmaceuticals or food additives.

Are there alternatives to 3-Sulfanyl-L-valine in synthesis?

Alternative reagents to 3-Sulfanyl-L-valine in synthesis include cysteine, N-acetylcysteine, and other sulfur-containing amino acids. These can be used as precursors or building blocks in similar reactions. For specific applications, it's advisable to consider the availability, cost, and compatibility of each alternative.

What is the market or research trend for 3-Sulfanyl-L-valine (CAS: 52-66-4)?

The market and research trends for 3-Sulfanyl-L-valine (CAS: 52-66-4) are growing due to its potential in pharmaceuticals and biotech applications. Research is focusing on its use as an antioxidant and in enzyme inhibition studies. Additionally, there is increasing interest in developing new synthetic routes and applications in drug discovery.

How should waste containing 3-Sulfanyl-L-valine (CAS: 52-66-4) be handled?

Waste containing 3-Sulfanyl-L-valine (CAS: 52-66-4) should be collected and stored in appropriate containers, ensuring proper labeling. Incineration or professional waste disposal is recommended, as per local regulations. It’s crucial to follow environmental protection precautions, including safe handling and disposal to prevent contamination of water and soil.