Butanedioic acid, [(carboxymethyl)thio]-


Chemical Name: Butanedioic acid, [(carboxymethyl)thio]-
CAS Number: 99-68-3
Product Number: AG006NLK(AGN-PC-0JM2RR)
Synonyms:
MDL No:
Molecular Formula: C6H8O6S
Molecular Weight: 208.1891

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
208.184g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
208.004g/mol
Monoisotopic Mass:
208.004g/mol
Topological Polar Surface Area:
137A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
225
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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