Butane, 1-isothiocyanato-


Chemical Name: Butane, 1-isothiocyanato-
CAS Number: 592-82-5
Product Number: AG003OLZ(AGN-PC-0JKA4B)
Synonyms:
MDL No:
Molecular Formula: C5H9NS
Molecular Weight: 115.1967

Identification/Properties


Properties
BP:
168.0°C
Storage:
Room Temperature;Inert atmosphere;
Form:
Liquid
Computed Properties
Molecular Weight:
115.194g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
115.046g/mol
Monoisotopic Mass:
115.046g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
74.1
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

Safety Information


NMR Spectrum


Other Analytical Data


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