Benzeneacetic acid, 4-(methylthio)-


Chemical Name: Benzeneacetic acid, 4-(methylthio)-
CAS Number: 16188-55-9
Product Number: AG001VYF(AGN-PC-0LKKWU)
Synonyms:
MDL No:
Molecular Formula: C9H10O2S
Molecular Weight: 182.2395

Identification/Properties


Properties
MP:
97-98 °C
BP:
337.4±25.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
182.237g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
182.04g/mol
Monoisotopic Mass:
182.04g/mol
Topological Polar Surface Area:
62.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
151
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#:
N/A
Hazard Statements:
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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