Methyl propyl disulfide - CAS 2179-60-4

Catalog:	BB017148
Product Name:	Methyl propyl disulfide
CAS:	2179-60-4
Synonyms:	1-(methyldisulfanyl)propane

Technical Data

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Computed Properties

IUPAC Name:	1-(methyldisulfanyl)propane
Description:	Methyl propyl disulfide (CAS# 2179-60-4 ) is a useful research chemical.
Molecular Weight:	122.25
Molecular Formula:	C4H10S2
Canonical SMILES:	CCCSSC
InChI:	InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3
InChI Key:	PUCHCUYBORIUSM-UHFFFAOYSA-N
Boiling Point:	154.1 °C at 760 mmHg
Density:	0.98 g/cm³
Appearance:	Liquid
MDL:	MFCD00013400
LogP:	2.40760

Publication Number	Title	Priority Date
CN-112293692-A	Preparation method of vacuum dehydrated onion	20200917
CN-111903687-A	New application of thioether compound methyl propyl trisulfide in inhibiting phytophthora	20200818
CN-112021311-A	New application of thioether compound allyl propyl disulfide in inhibition of phytophthora	20200818
CN-111903687-B	New application of thioether compound methyl propyl trisulfide in inhibiting phytophthora	20200818
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
21381664	20110413	Structure and function relationship study of allium organosulfur compounds on upregulating the pi class of glutathione S-transferase expression	Journal of agricultural and food chemistry
18948015	20090101	Alternative reagents for chemical noise reduction in liquid chromatography-mass spectrometry using selective ion-molecule reactions	Journal of the American Society for Mass Spectrometry
18163558	20080123	Identification of characteristic aroma components of Thai fried chili paste	Journal of agricultural and food chemistry
16280039	20050101	Clioquinol and pyrrolidine dithiocarbamate complex with copper to form proteasome inhibitors and apoptosis inducers in human breast cancer cells	Breast cancer research : BCR

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[1778-09-2]
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GHS Hazard Statement:	H226 (34.81%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	21.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.02239267
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	122.02239267
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8