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Home > Nitro Compounds > 2059967-00-7
2059967-00-7 | 1-[(3-methyl-4-nitrophenyl)imino]-1lambda6-thiolan-1-one
CAS No: 2059967-00-7 Catalog No: AG01BQY7 MDL No:MFCD30502102
Product Description
Catalog Number:
AG01BQY7
Chemical Name:
1-[(3-methyl-4-nitrophenyl)imino]-1lambda6-thiolan-1-one
CAS Number:
2059967-00-7
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
MDL Number:
MFCD30502102
IUPAC Name:
1-(3-methyl-4-nitrophenyl)iminothiolane 1-oxide
InChI:
InChI=1S/C11H14N2O3S/c1-9-8-10(4-5-11(9)13(14)15)12-17(16)6-2-3-7-17/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
SPXANCJCIURBGS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)N=S1(=O)CCCC1
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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