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121563-96-0 | 3-Pyridinamine, N-[1-(methylthio)-2-nitroethenyl]-
CAS No: 121563-96-0 Catalog No: AG0015AL MDL No:
Product Description
Catalog Number:
AG0015AL
Chemical Name:
3-Pyridinamine, N-[1-(methylthio)-2-nitroethenyl]-
CAS Number:
121563-96-0
Molecular Formula:
C8H9N3O2S
Molecular Weight:
211.2410
IUPAC Name:
N-(1-methylsulfanyl-2-nitroethenyl)pyridin-3-amine
InChI:
InChI=1S/C8H9N3O2S/c1-14-8(6-11(12)13)10-7-3-2-4-9-5-7/h2-6,10H,1H3
InChI Key:
KRXVOTBCSWOALA-UHFFFAOYSA-N
SMILES:
CSC(=C[N+](=O)[O-])Nc1cccnc1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.239g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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