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10220-46-9 | Acetic acid, 2-mercapto-, octadecyl ester
CAS No: 10220-46-9 Catalog No: AG0006VR MDL No:MFCD00022084
Product Description
Catalog Number:
AG0006VR
Chemical Name:
Acetic acid, 2-mercapto-, octadecyl ester
CAS Number:
10220-46-9
Molecular Formula:
C20H40O2S
Molecular Weight:
344.5954
MDL Number:
MFCD00022084
IUPAC Name:
octadecyl 2-sulfanylacetate
InChI:
InChI=1S/C20H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h23H,2-19H2,1H3
InChI Key:
JQTFPHLEQLLQOT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)CS
EC Number:
233-533-4
NSC Number:
65478
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.275g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.598g/mol
Monoisotopic Mass:
344.275g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
Literature
| Title | Journal |
|---|---|
| Sugar binding induced charge translocation in the melibiose permease from Escherichia coli. | Biochemistry 20041005 |
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