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3-(2-Propen-1-ylsulfinyl)alanine

3-(2-Propen-1-ylsulfinyl)alanine structure

CAS No:
17795-27-6
Formula:
C6H11NO3S
Chemical Name:
3-(2-Propen-1-ylsulfinyl)alanine
Synonyms:
Alanine,3-(2-propen-1-ylsulfinyl)-;Alanine,3-(allylsulfinyl)-;Alanine,3-(2-propenylsulfinyl)-;3-(2-Propen-1-ylsulfinyl)alanine;S-Allylcysteine sulfoxide;2-Amino-3-(prop-2-ene-1-sulfinyl)propanoic acid;112319-21-8
Categories:
Biochemical Engineering > Amino Acids and Proteins

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Description

Solid

(R)C(S)S-Alliin is an alpha-amino acid.

3-(2-Propen-1-ylsulfinyl)alanine Basic Attributes

Molecular Weight：

177.218

Exact Mass：

177.22

EC Number：

209-118-9

HScode：

2930909090

Characteristics

PSA：

99.6

XLogP3：

-3.5

Melting Point：

184-186 °C (decomp) @ Solvent: Acetone

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)|Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

alliin

Computed Properties

Molecular Weight:177.22
XLogP3:-3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:177.04596439
Monoisotopic Mass:177.04596439
Topological Polar Surface Area:99.6
Heavy Atom Count:11
Complexity:181
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2-Propen-1-ylsulfinyl)alanine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Learn More Other Chemicals

3-(2-Propen-1-ylsulfinyl)alanine

SDS

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