Benzene, 1-isothiocyanato-2-methyl-


Chemical Name: Benzene, 1-isothiocyanato-2-methyl-
CAS Number: 614-69-7
Product Number: AG00IKIS(AGN-PC-0JL8V6)
Synonyms:
MDL No:
Molecular Formula: C8H7NS
Molecular Weight: 149.2129

Identification/Properties


Properties
BP:
239 °C
Storage:
Room Temperature;Keep container tightly closed;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
1.6351-1.6371
Computed Properties
Molecular Weight:
149.211g/mol
XLogP3:
3.7
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:
149
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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