1-Docosanethiol


Chemical Name: 1-Docosanethiol
CAS Number: 7773-83-3
Product Number: AG003E9X(AGN-PC-0JNXTF)
Synonyms:
MDL No:
Molecular Formula: C22H46S
Molecular Weight: 342.66564

Identification/Properties


Properties
MP:
-7 °C
BP:
404.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.459(lit.)
Computed Properties
Molecular Weight:
342.67g/mol
XLogP3:
11.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
20
Exact Mass:
342.332g/mol
Monoisotopic Mass:
342.332g/mol
Topological Polar Surface Area:
1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
190
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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