1-Butene, 4-isothiocyanato-


Chemical Name: 1-Butene, 4-isothiocyanato-
CAS Number: 3386-97-8
Product Number: AG003R5P(AGN-PC-0JLQCW)
Synonyms:
MDL No:
Molecular Formula: C5H7NS
Molecular Weight: 113.1808

Identification/Properties


Properties
BP:
77 °C / 21mmHg
Storage:
-10 ℃;
Form:
Liquid
Refractive Index:
1.5210 to 1.5240
Computed Properties
Molecular Weight:
113.178g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
113.03g/mol
Monoisotopic Mass:
113.03g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
92.3
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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