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Home Other Building Blocks ethyl ethanethioate

ethyl ethanethioate

CAS No.:
926-67-0
Catalog Number:
AG019TXE
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG019TXE
Chemical Name:
ethyl ethanethioate
CAS Number:
926-67-0
MDL Number:
MFCD08741454
IUPAC Name:
O-ethyl ethanethioate
InChI:
InChI=1S/C4H8OS/c1-3-5-4(2)6/h3H2,1-2H3
InChI Key:
IEPFHYMMMGMRNF-UHFFFAOYSA-N
Properties
Complexity:
51.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.03g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.167g/mol
Monoisotopic Mass:
104.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Variation of some fermentative sulfur compounds in Italian 'millesime' classic sparkling wines during aging and storage on lees. Journal of agricultural and food chemistry 20100908
Sensitive quantification of sulfur compounds in wine by headspace solid-phase microextraction technique. Journal of chromatography. A 20050708
Properties