5-amino-3-methyl-1,2-thiazole-4-carbonitrile


Chemical Name: 5-amino-3-methyl-1,2-thiazole-4-carbonitrile
CAS Number: 41808-35-9
Product Number: AG00C7M9(AGN-PC-0K6290)
Synonyms:
MDL No:
Molecular Formula: C5H5N3S
Molecular Weight: 139.1783

Identification/Properties


Properties
MP:
202℃(Solv: ethyl acetate (141-78-6); ligroine (8032-32-4))
BP:
198.6 °C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
139.176g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
139.02g/mol
Monoisotopic Mass:
139.02g/mol
Topological Polar Surface Area:
90.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
150
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:
Danger
UN#:
3439
Hazard Statements:
H301+H311+H331
Precautionary Statements:
P261-P280-P301+P310-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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