Computed Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Synonyms
3-[(4-methoxyphenyl)sulfanyl]propanenitrile
102236-72-6
3-(4-Methoxyphenylthio)propanenitrile
AKOS000217300
MCULE-6368704912
NE26042
Z103338286
3-(4-methoxyphenyl)sulfanylpropanenitrile
Propanenitrile, 3-[(4-methoxyphenyl)thio]-
ACMC-20m58m
SCHEMBL16583152
CTK0D9180
DTXSID90651404
OFZISNCXBQYGRE-UHFFFAOYSA-N
3-(4-methoxyphenyl)thiopropionitrile
ZINC19847623
