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302341-70-4 | 4-Thiazolecarbonitrile, 2-(aminomethyl)-
CAS No: 302341-70-4 Catalog No: AG002ZBZ MDL No:
Product Description
Catalog Number:
AG002ZBZ
Chemical Name:
4-Thiazolecarbonitrile, 2-(aminomethyl)-
CAS Number:
302341-70-4
Molecular Formula:
C5H5N3S
Molecular Weight:
139.1783
IUPAC Name:
2-(aminomethyl)-1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C5H5N3S/c6-1-4-3-9-5(2-7)8-4/h3H,2,7H2
InChI Key:
TVPJJKGFBGKYGU-UHFFFAOYSA-N
SMILES:
NCc1scc(n1)C#N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.176g/mol
Monoisotopic Mass:
139.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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