1-Eicosanethiol


Chemical Name: 1-Eicosanethiol
CAS Number: 13373-97-2
Product Number: AG003PWZ(AGN-PC-0JMQQ5)
Synonyms:
MDL No:
Molecular Formula: C20H42S
Molecular Weight: 314.61248

Identification/Properties


Properties
MP:
40- 42° C
BP:
383.4°C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
314.616g/mol
XLogP3:
10.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
18
Exact Mass:
314.301g/mol
Monoisotopic Mass:
314.301g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
167
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#:
3082
Hazard Statements:
H315-H319-H413
Precautionary Statements:
P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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