Propane, 1-isothiocyanato-3-methoxy-


Chemical Name: Propane, 1-isothiocyanato-3-methoxy-
CAS Number: 17702-11-3
Product Number: AG002524(AGN-PC-0JMR8E)
Synonyms:
MDL No:
Molecular Formula: C5H9NOS
Molecular Weight: 131.1961

Identification/Properties


Properties
BP:
102 °C (35 mmHg)
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
1.501-1.503
Computed Properties
Molecular Weight:
131.193g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
131.04g/mol
Monoisotopic Mass:
131.04g/mol
Topological Polar Surface Area:
53.7A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
88.4
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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