Benzene, 1-isothiocyanato-4-methyl-


Chemical Name: Benzene, 1-isothiocyanato-4-methyl-
CAS Number: 622-59-3
Product Number: AG003LSG(AGN-PC-0JKAFU)
Synonyms:
MDL No:
Molecular Formula: C8H7NS
Molecular Weight: 149.2129

Identification/Properties


Properties
BP:
237.0°C
Storage:
2-8℃;Inert atmosphere;
Computed Properties
Molecular Weight:
149.211g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
149.03g/mol
Monoisotopic Mass:
149.03g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
141
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

Safety Information


NMR Spectrum


Other Analytical Data


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