Benzeneacetic acid, 2-mercapto-


Chemical Name: Benzeneacetic acid, 2-mercapto-
CAS Number: 39161-85-8
Product Number: AG00C9GS(AGN-PC-0LN3TF)
Synonyms:
MDL No:
Molecular Formula: C8H8O2S
Molecular Weight: 168.21292

Identification/Properties


Properties
MP:
85-90°C
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.21g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
168.025g/mol
Monoisotopic Mass:
168.025g/mol
Topological Polar Surface Area:
38.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
147
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


NMR Spectrum


Other Analytical Data


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