Acetic acid, (methylthio)-


Chemical Name: Acetic acid, (methylthio)-
CAS Number: 2444-37-3
Product Number: AG003C1K(AGN-PC-0JLPFL)
Synonyms:
MDL No:
Molecular Formula: C3H6O2S
Molecular Weight: 106.1435

Identification/Properties


Properties
MP:
13-14 °C(lit.)
BP:
130-131 °C27 mm Hg(lit.)
Storage:
2-8℃;Inert atmosphere;
Form:
Liquid
Stability:
Stench
Refractive Index:
n20/D 1.495(lit.)
Computed Properties
Molecular Weight:
106.139g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
106.009g/mol
Monoisotopic Mass:
106.009g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
52.8
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:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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