Pentyl 3-(methylthio)propanoate
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Pentyl 3-(methylthio)propanoate
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CAS No:
93762-35-7
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Formula:
C9H18O2S
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Chemical Name:
Pentyl 3-(methylthio)propanoate
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Synonyms:
Propanoic acid,3-(methylthio)-,pentyl ester;Pentyl 3-(methylthio)propanoate
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CAS No:
Safety Information
20/21-65
S23-S24/25
Xi
|Danger|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P285, P302+P352, P304+P341, P321, P333+P313, P342+P311, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:190.31
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:190.10275099
Monoisotopic Mass:190.10275099
Topological Polar Surface Area:51.6
Heavy Atom Count:12
Complexity:115
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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