Acetic acid, mercapto-, methyl ester


Chemical Name: Acetic acid, mercapto-, methyl ester
CAS Number: 2365-48-2
Product Number: AG002O1C(AGN-PC-0JKD5Q)
Synonyms:
MDL No:
Molecular Formula: C3H6O2S
Molecular Weight: 106.1435

Identification/Properties


Computed Properties
Molecular Weight:
106.139g/mol
XLogP3:
0.4
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:
27.3A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
52.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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