Propane, 2-isothiocyanato-


Chemical Name: Propane, 2-isothiocyanato-
CAS Number: 2253-73-8
Product Number: AG003R50(AGN-PC-0JLP8S)
Synonyms:
MDL No:
Molecular Formula: C4H7NS
Molecular Weight: 101.1701

Identification/Properties


Properties
BP:
140.7°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.493(lit.)
Computed Properties
Molecular Weight:
101.167g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
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:
71.6
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


GHS Pictogram:
Signal Word:
Danger
UN#:
1992
Hazard Statements:
H301-H313-H315-H319-H225
Precautionary Statements:
P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P403+P235-P405
Class:
3,6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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