3-methylsulfanylpropyl 2-sulfanylacetate
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3-methylsulfanylpropyl 2-sulfanylacetate
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CAS No:
852997-30-9
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Formula:
C6H12O2S2
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Chemical Name:
3-methylsulfanylpropyl 2-sulfanylacetate
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Synonyms:
FEMA No. 4561; Acetic acid,2-mercapto-,3-(methylthio)propyl ester; UNII-3RI9Z9IR02; 3-(Methylsulfanyl)propyl sulfanylacetate acetic acid,mercapto-,3-(methylthio)propyl ester; Acetic acid,mercapto-,3-(methylthio)propyl ester; 3-(METHYLTHIO)PROPYL MERCAPTOACETATE;Expand
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CAS No:
3-methylsulfanylpropyl 2-sulfanylacetate Basic Attributes
180.28800
180.02787197
3RI9Z9IR02
DTXSID50234499
Characteristics
90.40000
1.21250
1.133g/cm3
284.73ºC at 760 mmHg
126.001ºC
1.509
Practically insoluble or insoluble in water|Soluble (in ethanol)
3-methylsulfanylpropyl 2-sulfanylacetate Use and Manufacturing
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents
Computed Properties
Molecular Weight:180.3
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:180.02787197
Monoisotopic Mass:180.02787197
Topological Polar Surface Area:52.6
Heavy Atom Count:10
Complexity:95.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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