Home Other Building Blocks 2-[(3-phenylpropyl)sulfanyl]ethan-1-ol

2-[(3-phenylpropyl)sulfanyl]ethan-1-ol

CAS No.:
5755-57-7
Catalog Number:
AG01AG6T
Molecular Formula:
C11H16OS
Molecular Weight:
196.3091
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Product Description
Catalog Number:
AG01AG6T
Chemical Name:
2-[(3-phenylpropyl)sulfanyl]ethan-1-ol
CAS Number:
5755-57-7
Molecular Formula:
C11H16OS
Molecular Weight:
196.3091
MDL Number:
MFCD12185602
IUPAC Name:
2-(3-phenylpropylsulfanyl)ethanol
InChI:
InChI=1S/C11H16OS/c12-8-10-13-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChI Key:
MGPFGRYMVVLKHD-UHFFFAOYSA-N
SMILES:
OCCSCCCc1ccccc1
Properties
Complexity:
111  
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:
6  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties