1,5-Pentanedithiol


Chemical Name: 1,5-Pentanedithiol
CAS Number: 928-98-3
Product Number: AG003DQZ(AGN-PC-0JL9K4)
Synonyms:
MDL No:
Molecular Formula: C5H12S2
Molecular Weight: 136.2788

Identification/Properties


Properties
MP:
−72 °C(lit.)
BP:
107-108 °C15 mm Hg(lit.)
Storage:
2-8℃;Inert atmosphere;
Form:
Liquid
Refractive Index:
n20/D 1.519(lit.)
Computed Properties
Molecular Weight:
136.271g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
136.038g/mol
Monoisotopic Mass:
136.038g/mol
Topological Polar Surface Area:
2A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
25.3
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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