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Home > Nitro Compounds > 67098-31-1
67098-31-1 | 1-(morpholin-4-yl)-2-(3-nitrophenyl)ethanethione
CAS No: 67098-31-1 Catalog No: AG005R5K MDL No:
Product Description
Catalog Number:
AG005R5K
Chemical Name:
1-(morpholin-4-yl)-2-(3-nitrophenyl)ethanethione
CAS Number:
67098-31-1
Molecular Formula:
C12H14N2O3S
Molecular Weight:
266.3162
IUPAC Name:
1-morpholin-4-yl-2-(3-nitrophenyl)ethanethione
InChI:
InChI=1S/C12H14N2O3S/c15-14(16)11-3-1-2-10(8-11)9-12(18)13-4-6-17-7-5-13/h1-3,8H,4-7,9H2
InChI Key:
OOUMTCXSCRABRX-UHFFFAOYSA-N
SMILES:
S=C(N1CCOCC1)Cc1cccc(c1)[N+](=O)[O-]
NSC Number:
127704
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.315g/mol
Monoisotopic Mass:
266.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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