Ethane, isothiocyanato-


Chemical Name: Ethane, isothiocyanato-
CAS Number: 542-85-8
Product Number: AG003QFL(AGN-PC-0JK9SO)
Synonyms:
MDL No:
Molecular Formula: C3H5NS
Molecular Weight: 87.1435

Identification/Properties


Properties
MP:
-6 °C
BP:
131.5°C
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.512(lit.)
Computed Properties
Molecular Weight:
87.14g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
87.014g/mol
Monoisotopic Mass:
87.014g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
53.9
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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