Propane, 1-isothiocyanato-3-(methylthio)-


Chemical Name: Propane, 1-isothiocyanato-3-(methylthio)-
CAS Number: 505-79-3
Product Number: AG003I9F(AGN-PC-0JL4YO)
Synonyms:
MDL No:
Molecular Formula: C5H9NS2
Molecular Weight: 147.2617

Identification/Properties


Properties
BP:
245.4°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
147.254g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
147.018g/mol
Monoisotopic Mass:
147.018g/mol
Topological Polar Surface Area:
69.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
86.4
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302+H332-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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