Carbamimidothioic acid, methyl ester, sulfate (2:1)


Chemical Name: Carbamimidothioic acid, methyl ester, sulfate (2:1)
CAS Number: 867-44-7
Product Number: AG0033DZ(AGN-PC-0JKB4B)
Synonyms:
MDL No:
Molecular Formula: C4H14N4O4S3
Molecular Weight: 278.3734

Identification/Properties


Properties
MP:
240-241 °C (dec.)(lit.)
BP:
138.8 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Stability:
Hygroscopic
Solubility:
H2O: 0.1 g/mL, clear, colorless
Computed Properties
Molecular Weight:
278.36g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
278.018g/mol
Monoisotopic Mass:
278.018g/mol
Topological Polar Surface Area:
233A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
124
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:
3
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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