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Home > Nitro Compounds > 2059988-40-6
2059988-40-6 | 1-[(5-nitropyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS No: 2059988-40-6 Catalog No: AG01BQZ1 MDL No:MFCD30502133
Product Description
Catalog Number:
AG01BQZ1
Chemical Name:
1-[(5-nitropyridin-2-yl)imino]-1lambda6-thiolan-1-one
CAS Number:
2059988-40-6
Molecular Formula:
C9H11N3O3S
Molecular Weight:
241.2669
MDL Number:
MFCD30502133
IUPAC Name:
1-(5-nitropyridin-2-yl)iminothiolane 1-oxide
InChI:
InChI=1S/C9H11N3O3S/c13-12(14)8-3-4-9(10-7-8)11-16(15)5-1-2-6-16/h3-4,7H,1-2,5-6H2
InChI Key:
VSMZPLNXNQDUMH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(nc1)N=S1(=O)CCCC1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.265g/mol
Monoisotopic Mass:
241.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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