Home Other Building Blocks 3-methyl-1-(phenylsulfanyl)butan-2-ol

3-methyl-1-(phenylsulfanyl)butan-2-ol

CAS No.:
343331-59-9
Catalog Number:
AG01A539
Molecular Formula:
C11H16OS
Molecular Weight:
196.3091
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Product Description
Catalog Number:
AG01A539
Chemical Name:
3-methyl-1-(phenylsulfanyl)butan-2-ol
CAS Number:
343331-59-9
Molecular Formula:
C11H16OS
Molecular Weight:
196.3091
MDL Number:
MFCD21128120
IUPAC Name:
3-methyl-1-phenylsulfanylbutan-2-ol
InChI:
InChI=1S/C11H16OS/c1-9(2)11(12)8-13-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3
InChI Key:
JYKAAQDFSNKNJE-UHFFFAOYSA-N
SMILES:
OC(C(C)C)CSc1ccccc1
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.092g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.308g/mol
Monoisotopic Mass:
196.092g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties