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122805-71-4 | 2-Thiophenecarbonitrile, 3-amino-, hydrochloride (1:1)
CAS No: 122805-71-4 Catalog No: AG000JJ5 MDL No:MFCD26743536
Product Description
Catalog Number:
AG000JJ5
Chemical Name:
2-Thiophenecarbonitrile, 3-amino-, hydrochloride (1:1)
CAS Number:
122805-71-4
Molecular Formula:
C5H5ClN2S
Molecular Weight:
160.6246
MDL Number:
MFCD26743536
IUPAC Name:
3-aminothiophene-2-carbonitrile;hydrochloride
InChI:
InChI=1S/C5H4N2S.ClH/c6-3-5-4(7)1-2-8-5;/h1-2H,7H2;1H
InChI Key:
RQZAAUNYCXWCFO-UHFFFAOYSA-N
SMILES:
N#Cc1sccc1N.Cl
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.986g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.619g/mol
Monoisotopic Mass:
159.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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