3-(Allylsulfinyl)-L-alanine

Basic Information

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CAS Number

556-27-4

Molecular Formula

C6H11NO3S

Molecular Weight

177.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Physical State

Powder

Melting Point

164-166° (effervescence)

Boiling Point

416.1℃ at 760 mmHg

Solubility

1e+006 mg/L @ 25 °C (est)

Refractive Index

1.5500 (estimate)

Specific Rotation

D20 +63.5° (c = 2)

SMILES

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N[C@@H](CS(=O)CC=C)C(O)=O

InChI

InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11?/m0/s1

InChIKey

XUHLIQGRKRUKPH-ITZCMCNPSA-N

LogP

-0.6670000000000003

Topological Polar Surface Area

80.39000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

181

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

对光敏感

Synonyms & References

English

(S)-3-(Allylsulphinyl)-L-alanine
(2R)-2-Amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
(+)-Alliin
(+)-L-Alliin
ALLIIN(AS) PrintBack
ALLIIN(P) PrintBack
L-Cysteine,S-2-propen-1-yl-, S-oxide, [S(S)]-
(+/-)-S-2-propenyl-L-cysteine sulfoxide
(S)-3-(Allylsulphiny
Alliin
ALLIIN(P)
Einecs 209-118-9
L-(+)-S-2-(propenyl)cysteine sulfoxide
(S)-S-Allyl-L-cysteine sulfoxide
(S)-L-3-(Allylsulfinyl)alanine
2-Amino-3-[(S)-prop-2-enylsulfinyl]propanoic acid
2-amino-3-prop-2-enylsulfinylpropanoic acid
(R)C(S)S-Alliin
Alanine, 3-(2-propen-1-ylsulfinyl)-
(+/-)-Alliin
S-Allyl-L-cysteine sulfoxide
S-Allylcysteine sulfoxide
S-(2-Propenyl)cysteine sulfoxide
alliumn
Alanine, 3-(2-propenylsulfinyl)-
Alanine, 3-(allylsulfinyl)-
VA10214
2-Amino-3-(allylsulfinyl)propanoic acid
Alliin; 3-(2-Propenylsulfinyl)-L-Alanin
2-amino-3-prop-2-enylsulinylpropanoic acid
2-amino-3-(prop

MDL Number

MFCD01311056

Customs Code

2942000000

FAQ

What is 3-(Allylsulfinyl)-L-alanine (CAS: 556-27-4)?

3-(Allylsulfinyl)-L-alanine (CAS: 556-27-4) is an organic compound that contains an allylsulfinyl group attached to the amino acid L-alanine. Its chemical formula is C7H11NO3S. It is a white to off-white solid with moderate solubility in water and is commonly used in organic synthesis and pharmaceutical research due to its reactivity and structural versatility.

What are the main uses of 3-(Allylsulfinyl)-L-alanine (CAS: 556-27-4)?

3-(Allylsulfinyl)-L-alanine (CAS: 556-27-4) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, specialty chemicals, and as an intermediate in the production of certain bioactive compounds. Its unique structure makes it valuable in the design of molecules with specific biological functions.

Is 3-(Allylsulfinyl)-L-alanine (CAS: 556-27-4) safe?

3-(Allylsulfinyl)-L-alanine (CAS: 556-27-4) is generally considered safe when handled properly. It is not classified as highly toxic, but standard laboratory safety precautions should be followed, including the use of gloves, goggles, and a fume hood. Always refer to the Safety Data Sheet (SDS) for specific handling guidelines and exposure limits.

How should 3-(Allylsulfinyl)-L-alanine (CAS: 556-27-4) be stored?

3-(Allylsulfinyl)-L-alanine (CAS: 556-27-4) should be stored in a cool, dry, and well-ventilated place, away from light and moisture. It is best kept in a sealed container under an inert atmosphere to maintain stability. Storage at temperatures below 25°C is recommended to prevent degradation.