Ethanimidothioic acid, N-hydroxy-, methyl ester


Chemical Name: Ethanimidothioic acid, N-hydroxy-, methyl ester
CAS Number: 13749-94-5
Product Number: AG0013DX(AGN-PC-0JLZJR)
Synonyms:
MDL No:
Molecular Formula: C3H7NOS
Molecular Weight: 105.1588

Identification/Properties


Properties
MP:
93~95℃
BP:
125°C (rough estimate)
Storage:
Room Temperature;
Form:
Solid
Refractive Index:
1.5130 (estimate)
Computed Properties
Molecular Weight:
105.155g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
105.025g/mol
Monoisotopic Mass:
105.025g/mol
Topological Polar Surface Area:
57.9A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
61.8
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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