Propanoic acid, 3-(benzoylthio)-2-methyl-, (2S)-


Chemical Name: Propanoic acid, 3-(benzoylthio)-2-methyl-, (2S)-
CAS Number: 72679-02-8
Product Number: AG005Q5G(AGN-PC-0OH5S0)
Synonyms:
MDL No:
Molecular Formula: C11H12O3S
Molecular Weight: 224.2762

Identification/Properties


Properties
MP:
61-63°C
BP:
385°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
224.274g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
224.051g/mol
Monoisotopic Mass:
224.051g/mol
Topological Polar Surface Area:
79.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
234
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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