Propane, 1-isothiocyanato-


Chemical Name: Propane, 1-isothiocyanato-
CAS Number: 628-30-8
Product Number: AG0035J3(AGN-PC-0JL900)
Synonyms:
MDL No:
Molecular Formula: C4H7NS
Molecular Weight: 101.1701

Identification/Properties


Properties
BP:
153.0°C
Storage:
Room Temperature;Keep container tightly closed;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
1.503-1.505
Computed Properties
Molecular Weight:
101.167g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
101.03g/mol
Monoisotopic Mass:
101.03g/mol
Topological Polar Surface Area:
44.4A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
63.9
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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