5-methylthiophen-2-ol


Chemical Name: 5-methylthiophen-2-ol
CAS Number: 503-91-3
Product Number: AG01DWGE(AGN-PC-0JNRDM)
Synonyms:
MDL No:
Molecular Formula: C5H6OS
Molecular Weight: 114.1655

Identification/Properties


Computed Properties
Molecular Weight:
114.162g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
114.014g/mol
Monoisotopic Mass:
114.014g/mol
Topological Polar Surface Area:
48.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
65.1
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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