Benzoic acid, 4-[(aminothioxomethyl)amino]-, ethyl ester


Chemical Name: Benzoic acid, 4-[(aminothioxomethyl)amino]-, ethyl ester
CAS Number: 23051-16-3
Product Number: AG002M1A(AGN-PC-0KLGNT)
Synonyms:
MDL No:
Molecular Formula: C10H12N2O2S
Molecular Weight: 224.2795

Identification/Properties


Computed Properties
Molecular Weight:
224.278g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
224.062g/mol
Monoisotopic Mass:
224.062g/mol
Topological Polar Surface Area:
96.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
238
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#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback