5-Thiazolecarbonitrile, 4-amino-2-(methylthio)-


Chemical Name: 5-Thiazolecarbonitrile, 4-amino-2-(methylthio)-
CAS Number: 39736-28-2
Product Number: AG00CAVG(AGN-PC-0JUSN4)
Synonyms:
MDL No:
Molecular Formula: C5H5N3S2
Molecular Weight: 171.2433

Identification/Properties


Computed Properties
Molecular Weight:
171.236g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
170.992g/mol
Monoisotopic Mass:
170.992g/mol
Topological Polar Surface Area:
116A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
164
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-H312-H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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