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S-Allyl-L-cysteine sulfoxide

S-Allyl-L-cysteine sulfoxide structure

CAS No:
17795-26-5
Formula:
C6H11NO3S
Chemical Name:
S-Allyl-L-cysteine sulfoxide
Synonyms:
L-Cysteine,S-2-propen-1-yl-,S-oxide;Alanine,3-(allylsulfinyl)-,L-;L-Alanine,3-(2-propenylsulfinyl)-;S-Allyl-L-cysteine sulfoxide;S-Allylcysteine sulfoxide;S-2-Propenyl-L-cysteine sulfoxide

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Description

3-(Allylsulphinyl)-L-alanine is a L-alpha-amino acid.

S-Allyl-L-cysteine sulfoxide Basic Attributes

Molecular Weight：

177.22144

Exact Mass：

177.22

EC Number：

241-773-6

Characteristics

PSA：

99.6

XLogP3：

-0.48

Density：

1.354±0.06 g/cm3(Predicted)

Boiling Point：

416.1±45.0 °C(Predicted)

Flash Point：

205.5±28.7 °C

Refractive Index：

1.579

Storage Conditions：

-20°C

Collision Cross Section：

134.5 Å² [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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

S-Allyl-L-cysteine sulfoxide Use and Manufacturing

rac-Alliin has shown notable preventive effects on cardiac marker enzymes and lipids in isoproterenol-induced myocardial injury. rac-Alliin is also known to exhibit anticancer, antimicrobial, antihypertensive, antioxidant activities.

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
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

2-(2,4-DICHLOROPHENOXY)ETHYL 4-METHYLPHENYL SULFOXIDE

339010-90-1
2,4-DICHLOROBENZYL (4-ETHYL-5-[(4-NITROBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFOXIDE

344272-59-9
2,4-DICHLOROBENZYL (4-METHYL-5-[(4-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFOXIDE

344272-10-2
2,4-DICHLOROBENZYL (4-METHYL-5-([4-(TRIFLUOROMETHYL)BENZYL]SULFANYL)-4H-1,2,4-TRIAZOL-3-YL)METHYL SULFOXIDE Formula

344272-31-7
CARBOPHENOTHION-METHYL SULFOXIDE Formula

62059-33-0
(5-[(4-BROMOBENZYL)SULFANYL]-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL 2,6-DICHLOROBENZYL SULFOXIDE Formula

344273-24-1
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Dodecyl sulfoxide Structure

2168-96-9
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Hot Searches: acetic acid mw; trestolone acetate; formula for hydrogen sulphide; nocl; sodium propionate; 4-methoxybenzaldehyde

Guide of S-Allyl-L-cysteine sulfoxide

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

S-Allyl-L-cysteine sulfoxide

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