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Home > Nitro Compounds > 1000573-47-6
1000573-47-6 | Methyl [2-(4-nitrophenoxy)ethyl]cyano-carbonimidodithioate
CAS No: 1000573-47-6 Catalog No: AG01F6ZE MDL No:
Product Description
Catalog Number:
AG01F6ZE
Chemical Name:
Methyl [2-(4-nitrophenoxy)ethyl]cyano-carbonimidodithioate
CAS Number:
1000573-47-6
Molecular Formula:
C11H11N3O3S2
Molecular Weight:
297.3533
IUPAC Name:
[methylsulfanyl-[2-(4-nitrophenoxy)ethylsulfanyl]methylidene]cyanamide
InChI:
InChI=1S/C11H11N3O3S2/c1-18-11(13-8-12)19-7-6-17-10-4-2-9(3-5-10)14(15)16/h2-5H,6-7H2,1H3
InChI Key:
DGKQWYVWWCLYGB-UHFFFAOYSA-N
SMILES:
CS/C(=N\C#N)/SCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.347g/mol
Monoisotopic Mass:
297.024g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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