Butanedioic acid, mercapto-


Chemical Name: Butanedioic acid, mercapto-
CAS Number: 70-49-5
Product Number: AG003RGZ(AGN-PC-0JK7IS)
Synonyms:
MDL No:
Molecular Formula: C4H6O4S
Molecular Weight: 150.1530

Identification/Properties


Properties
MP:
155-157 °C(lit.)
BP:
241.69°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Solubility:
500g/l
Computed Properties
Molecular Weight:
150.148g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
149.999g/mol
Monoisotopic Mass:
149.999g/mol
Topological Polar Surface Area:
75.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
133
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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