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17742-51-7

17742-51-7 | Butanoic acid, 4-(phenylthio)-

CAS No: 17742-51-7 Catalog No: AG0025BJ MDL No:MFCD02082831

Product Description

Catalog Number:
AG0025BJ
Chemical Name:
Butanoic acid, 4-(phenylthio)-
CAS Number:
17742-51-7
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD02082831
IUPAC Name:
4-phenylsulfanylbutanoic acid
InChI:
InChI=1S/C10H12O2S/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChI Key:
HHZVQLOVHIDMBD-UHFFFAOYSA-N
SMILES:
OC(=O)CCCSc1ccccc1
UNII:
XQ70H061FX
NSC Number:
115787

Properties

Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Literature

Title Journal
Fabrication of conducting poly(3-thiophene boronic acid)-grafted multi-walled carbon nanotubes by oxidative polymerization. Journal of nanoscience and nanotechnology 20120101
Inhibition of histone deacetylase expands the renal progenitor cell population. Journal of the American Society of Nephrology : JASN 20100501

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