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Home > Nitro Compounds > 730-35-8
730-35-8 | 1-Piperidinecarbodithioic acid, (5-nitro-2-furanyl)methyl ester
CAS No: 730-35-8 Catalog No: AG005N1J MDL No:
Product Description
Catalog Number:
AG005N1J
Chemical Name:
1-Piperidinecarbodithioic acid, (5-nitro-2-furanyl)methyl ester
CAS Number:
730-35-8
Molecular Formula:
C11H14N2O3S2
Molecular Weight:
286.3705
IUPAC Name:
(5-nitrofuran-2-yl)methyl piperidine-1-carbodithioate
InChI:
InChI=1S/C11H14N2O3S2/c14-13(15)10-5-4-9(16-10)8-18-11(17)12-6-2-1-3-7-12/h4-5H,1-3,6-8H2
InChI Key:
FNXUTFDIUARWMJ-UHFFFAOYSA-N
SMILES:
S=C(N1CCCCC1)SCc1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.364g/mol
Monoisotopic Mass:
286.045g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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