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Home > Nitro Compounds > 81977-72-2
81977-72-2 | Ethanethioamide, N-(4-methylphenyl)-2-nitro-
CAS No: 81977-72-2 Catalog No: AG005GAD MDL No:
Product Description
Catalog Number:
AG005GAD
Chemical Name:
Ethanethioamide, N-(4-methylphenyl)-2-nitro-
CAS Number:
81977-72-2
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
IUPAC Name:
N-(4-methylphenyl)-2-nitroethanethioamide
InChI:
InChI=1S/C9H10N2O2S/c1-7-2-4-8(5-3-7)10-9(14)6-11(12)13/h2-5H,6H2,1H3,(H,10,14)
InChI Key:
LHOOAZNKTNKCSZ-UHFFFAOYSA-N
SMILES:
S=C(C[N+](=O)[O-])Nc1ccc(cc1)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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