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Home > Nitro Compounds > 1000573-53-4
1000573-53-4 | Methyl [3-(4-nitrophenoxy)propyl]cyano-carbonimidodithioate
CAS No: 1000573-53-4 Catalog No: AG01F6S6 MDL No:
Product Description
Catalog Number:
AG01F6S6
Chemical Name:
Methyl [3-(4-nitrophenoxy)propyl]cyano-carbonimidodithioate
CAS Number:
1000573-53-4
Molecular Formula:
C12H13N3O3S2
Molecular Weight:
311.3799
IUPAC Name:
[methylsulfanyl-[3-(4-nitrophenoxy)propylsulfanyl]methylidene]cyanamide
InChI:
InChI=1S/C12H13N3O3S2/c1-19-12(14-9-13)20-8-2-7-18-11-5-3-10(4-6-11)15(16)17/h3-6H,2,7-8H2,1H3
InChI Key:
DSGOSDNWNUVVAK-UHFFFAOYSA-N
SMILES:
CS/C(=N\C#N)/SCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.04g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.374g/mol
Monoisotopic Mass:
311.04g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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