Benzene, 1-isocyanato-2-(methylthio)-


Chemical Name: Benzene, 1-isocyanato-2-(methylthio)-
CAS Number: 52260-30-7
Product Number: AG003F3R(AGN-PC-0KK87K)
Synonyms:
MDL No:
Molecular Formula: C8H7NOS
Molecular Weight: 165.2123

Identification/Properties


Computed Properties
Molecular Weight:
165.21g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
165.025g/mol
Monoisotopic Mass:
165.025g/mol
Topological Polar Surface Area:
54.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
166
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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