Home Other Building Blocks (1S)-1-[4-(methylsulfanyl)phenyl]ethan-1-ol

(1S)-1-[4-(methylsulfanyl)phenyl]ethan-1-ol

CAS No.:
179613-06-0
Catalog Number:
AG019R85
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
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Product Description
Catalog Number:
AG019R85
Chemical Name:
(1S)-1-[4-(methylsulfanyl)phenyl]ethan-1-ol
CAS Number:
179613-06-0
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD14705948
IUPAC Name:
(1S)-1-(4-methylsulfanylphenyl)ethanol
InChI:
InChI=1S/C9H12OS/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1
InChI Key:
XRCBEPLEVWVPAD-ZETCQYMHSA-N
SMILES:
CSc1ccc(cc1)[C@@H](O)C
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties