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232612-47-4 | 5-Thiazolecarbonitrile, 2-(aminomethyl)-, hydrochloride (1:1)
CAS No: 232612-47-4 Catalog No: AG002MP9 MDL No:MFCD06658318
Product Description
Catalog Number:
AG002MP9
Chemical Name:
5-Thiazolecarbonitrile, 2-(aminomethyl)-, hydrochloride (1:1)
CAS Number:
232612-47-4
Molecular Formula:
C5H6ClN3S
Molecular Weight:
175.6392
MDL Number:
MFCD06658318
IUPAC Name:
2-(aminomethyl)-1,3-thiazole-5-carbonitrile;hydrochloride
InChI:
InChI=1S/C5H5N3S.ClH/c6-1-4-3-8-5(2-7)9-4;/h3H,2,7H2;1H
InChI Key:
IDXZKUZOLXDHSD-UHFFFAOYSA-N
SMILES:
NCc1ncc(s1)C#N.Cl
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.634g/mol
Monoisotopic Mass:
174.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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