Propanoic acid, 3-mercapto-, octadecyl ester


Chemical Name: Propanoic acid, 3-mercapto-, octadecyl ester
CAS Number: 31778-15-1
Product Number: AG003TG7(AGN-PC-0JPQT9)
Synonyms:
MDL No:
Molecular Formula: C21H42O2S
Molecular Weight: 358.62198

Identification/Properties


Properties
MP:
28℃
BP:
443.3°C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
358.625g/mol
XLogP3:
9.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
20
Exact Mass:
358.291g/mol
Monoisotopic Mass:
358.291g/mol
Topological Polar Surface Area:
27.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
256
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
3077
Hazard Statements:
H302-H317-H400
Precautionary Statements:
P273-P280
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback