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13753-71-4

13753-71-4 | Acetic acid, 2-(dodecylthio)-

CAS No: 13753-71-4 Catalog No: AG0013HY MDL No:

Product Description

Catalog Number:
AG0013HY
Chemical Name:
Acetic acid, 2-(dodecylthio)-
CAS Number:
13753-71-4
Molecular Formula:
C14H28O2S
Molecular Weight:
260.4359
IUPAC Name:
2-dodecylsulfanylacetic acid
InChI:
InChI=1S/C14H28O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChI Key:
LZQSKUQISWIZQS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSCC(=O)O
EC Number:
237-336-4
NSC Number:
408523

Properties

Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.181g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.436g/mol
Monoisotopic Mass:
260.181g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

Literature

Title Journal
Effects of 3-thia fatty acids on expression of some lipid related genes in Atlantic salmon (Salmo salar L.). Comparative biochemistry and physiology. Part B, Biochemistry & molecular biology 20061001

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