Propanoic acid, 3-amino-3-thioxo-, methyl ester


Chemical Name: Propanoic acid, 3-amino-3-thioxo-, methyl ester
CAS Number: 689-09-8
Product Number: AG003RQZ(AGN-PC-0KO78D)
Synonyms:
MDL No:
Molecular Formula: C4H7NO2S
Molecular Weight: 133.1689

Identification/Properties


Properties
BP:
221.8°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
133.165g/mol
XLogP3:
-0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
133.02g/mol
Monoisotopic Mass:
133.02g/mol
Topological Polar Surface Area:
84.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
113
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback