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1680-28-0 | Decanethioic acid, S-ethyl ester
CAS No: 1680-28-0 Catalog No: AG001XQL MDL No:
Product Description
Catalog Number:
AG001XQL
Chemical Name:
Decanethioic acid, S-ethyl ester
CAS Number:
1680-28-0
Molecular Formula:
C12H24OS
Molecular Weight:
216.3834
IUPAC Name:
S-ethyl decanethioate
InChI:
InChI=1S/C12H24OS/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChI Key:
JZXOJHUXGUSCNC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)SCC
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.155g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.383g/mol
Monoisotopic Mass:
216.155g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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