2-(carboxymethylsulfanyl)acetic acid


Chemical Name: 2-(carboxymethylsulfanyl)acetic acid
CAS Number: 123-93-3
Product Number: AG000JXM(AGN-PC-0JKLU9)
Synonyms:
MDL No:
Molecular Formula: C4H6O4S
Molecular Weight: 150.1530

Identification/Properties


Properties
MP:
128-131 °C(lit.)
BP:
241.69°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Stability:
Stench
Refractive Index:
1.5500 (estimate)
Solubility:
400g/l
Computed Properties
Molecular Weight:
150.148g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
149.999g/mol
Monoisotopic Mass:
149.999g/mol
Topological Polar Surface Area:
99.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
108
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:
Danger
UN#:
3261
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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