Ethanol, 2-[(phenylmethyl)thio]-


Chemical Name: Ethanol, 2-[(phenylmethyl)thio]-
CAS Number: 3878-41-9
Product Number: AG00BXQ4(AGN-PC-0JLQQ7)
Synonyms:
MDL No: MFCD00014039
Molecular Formula: C9H12OS
Molecular Weight: 168.2560

Identification/Properties


Computed Properties
Molecular Weight:
168.254g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
168.061g/mol
Monoisotopic Mass:
168.061g/mol
Topological Polar Surface Area:
45.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
89.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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