Ethane, 1-chloro-2-isothiocyanato-


Chemical Name: Ethane, 1-chloro-2-isothiocyanato-
CAS Number: 6099-88-3
Product Number: AG003H2C(AGN-PC-0JMQ9T)
Synonyms:
MDL No:
Molecular Formula: C3H4ClNS
Molecular Weight: 121.58856

Identification/Properties


Properties
MP:
172 °C
BP:
80 °C13 mm Hg(lit.)
Storage:
Room Temperature;Keep container tightly closed;
Form:
Liquid
Computed Properties
Molecular Weight:
121.582g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
120.975g/mol
Monoisotopic Mass:
120.975g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
67.2
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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