Home Other Building Blocks 2-(phenylsulfanyl)butanoic acid

2-(phenylsulfanyl)butanoic acid

CAS No.:
62675-40-5
Catalog Number:
AG01AHH8
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG01AHH8
Chemical Name:
2-(phenylsulfanyl)butanoic acid
CAS Number:
62675-40-5
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD08696267
IUPAC Name:
2-phenylsulfanylbutanoic acid
InChI:
InChI=1S/C10H12O2S/c1-2-9(10(11)12)13-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChI Key:
GTMBPAXUQQLAGD-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)Sc1ccccc1
Properties
Complexity:
164  
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:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties