Carbamimidothioic acid, N-cyano-N'-methyl-, methyl ester


Chemical Name: Carbamimidothioic acid, N-cyano-N'-methyl-, methyl ester
CAS Number: 5848-24-8
Product Number: AG003SWM(AGN-PC-0JLHS4)
Synonyms:
MDL No:
Molecular Formula: C4H7N3S
Molecular Weight: 129.18348

Identification/Properties


Properties
MP:
202-203 °C(lit.)
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
129.181g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
129.036g/mol
Monoisotopic Mass:
129.036g/mol
Topological Polar Surface Area:
73.5A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
132
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+H332
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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