5-Pyrimidinecarbonitrile, 4-methyl-2-(methylthio)-


Chemical Name: 5-Pyrimidinecarbonitrile, 4-methyl-2-(methylthio)-
CAS Number: 89079-62-9
Product Number: AG00343O(AGN-PC-00KYH7)
Synonyms:
MDL No: MFCD14585003
Molecular Formula: C7H7N3S
Molecular Weight: 165.2156

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
165.214g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
165.036g/mol
Monoisotopic Mass:
165.036g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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