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


Chemical Name: Propanoic acid, 3-(acetylthio)-2-methyl-, (2S)-
CAS Number: 76497-39-7
Product Number: AG0032FP(AGN-PC-0OHTWH)
Synonyms:
MDL No:
Molecular Formula: C6H10O3S
Molecular Weight: 162.2068

Identification/Properties


Properties
MP:
5 °C
BP:
276.5±23.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.490
Computed Properties
Molecular Weight:
162.203g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
162.035g/mol
Monoisotopic Mass:
162.035g/mol
Topological Polar Surface Area:
79.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
144
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:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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