Propanoic acid, 3-(methylthio)-


Chemical Name: Propanoic acid, 3-(methylthio)-
CAS Number: 646-01-5
Product Number: AG003JRK(AGN-PC-0BY8FZ)
Synonyms:
MDL No:
Molecular Formula: C4H8OS
Molecular Weight: 104.1707

Identification/Properties


Properties
MP:
16°C
BP:
249.2°C at 760 mmHg
Storage:
2-8℃;
Form:
Liquid
Refractive Index:
1.4884
Computed Properties
Molecular Weight:
120.166g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
120.025g/mol
Monoisotopic Mass:
120.025g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
62.7
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#:
1760
Hazard Statements:
H290-H314
Precautionary Statements:
P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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