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Home > Nitro Compounds > 89844-24-6
89844-24-6 | Benzenecarbothioamide, 4-nitro-N-2-pyridinyl-
CAS No: 89844-24-6 Catalog No: AG003WVL MDL No:
Product Description
Catalog Number:
AG003WVL
Chemical Name:
Benzenecarbothioamide, 4-nitro-N-2-pyridinyl-
CAS Number:
89844-24-6
Molecular Formula:
C12H9N3O2S
Molecular Weight:
259.2838
IUPAC Name:
4-nitro-N-pyridin-2-ylbenzenecarbothioamide
InChI:
InChI=1S/C12H9N3O2S/c16-15(17)10-6-4-9(5-7-10)12(18)14-11-3-1-2-8-13-11/h1-8H,(H,13,14,18)
InChI Key:
AAHVHFZZIVMEAJ-UHFFFAOYSA-N
SMILES:
S=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccccn1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.042g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.283g/mol
Monoisotopic Mass:
259.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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