Allyl methyl sulfide - CAS 10152-76-8

Catalog:	BB000527
Product Name:	Allyl methyl sulfide
CAS:	10152-76-8
Synonyms:	1-Propene, 3-(methylthio)-; 3-(methylthio)-1-propene; Methyl 2-propenyl sulfide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-methylsulfanylprop-1-ene
Description:	Allyl methyl sulfide is an organosulfur compound found in garlic with anti-fungal and antimicrobial properties.
Molecular Weight:	88.17
Molecular Formula:	C4H8S
Canonical SMILES:	CSCC=C
InChI:	InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3
InChI Key:	NVLPQIPTCCLBEU-UHFFFAOYSA-N
Boiling Point:	91-93 °C
Flash Point:	18 °C (C.C)
Purity:	98 %
Density:	0.803 g/cm³
Solubility:	Soluble in Chloroform, Methanol (Slightly)
Appearance:	Colorless Oil
Storage:	Store at 2-8°C
MDL:	MFCD00008657
LogP:	1.53540
Refractive Index:	1.4714

Publication Number	Title	Priority Date
JP-3233617-U	Garlic treatment pack	20210611
CN-112369592-A	Cooked sweet potato characteristic flavor agent and preparation method and application thereof	20201106
CN-112089730-A	Antibacterial iron sulfide aqueous solution, preparation method and application thereof	20200918
CN-111938019-A	Antibiotic replacing feed containing natural allicin and preparation method thereof	20200820
CN-112067711-A	System and method for detecting acrimony of allium products by combining respiratory metabolic gas with simulated chewing gastric digestion	20200814

PMID	Publication Date	Title	Journal
29694836	20180801	In vitro evaluation of structural analogs of diallyl sulfide as novel CYP2E1 inhibitors for their protective effect against xenobiotic-induced toxicity and HIV replication	Toxicology letters
22370952	20120801	Volatile sulphur compounds and pathways of L-methionine catabolism in Williopsis yeasts	Applied microbiology and biotechnology
21824734	20120127	Actinobacillus pleuropneumoniae is impaired by the garlic volatile allyl methyl sulfide (AMS) in vitro and in-feed garlic alleviates pleuropneumonia in a pig model	Veterinary microbiology
21945372	20120118	Post-fasting olfactory, transcriptional, and feeding responses in Drosophila	Physiology & behavior
21251694	20110401	PTR-MS measurements and analysis of models for the calculation of Henry's law constants of monosulfides and disulfides	Chemosphere

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Related Functional Groups

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[85-47-2]
1-Naphthalenesulfonic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H317 (96.06%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501
Signal Word:	Warning

Complexity:	24.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.03467143
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	88.03467143
Rotatable Bond Count:	2
Topological Polar Surface Area:	25.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5