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1000573-59-0

1000573-59-0 | [3-(4-Fluorophenoxy)propyl]methyl-cyanocarbonimidodithioate

CAS No: 1000573-59-0 Catalog No: AG01F6S7 MDL No:

Product Description

Catalog Number:
AG01F6S7
Chemical Name:
[3-(4-Fluorophenoxy)propyl]methyl-cyanocarbonimidodithioate
CAS Number:
1000573-59-0
Molecular Formula:
C12H13FN2OS2
Molecular Weight:
284.3728
IUPAC Name:
[3-(4-fluorophenoxy)propylsulfanyl-methylsulfanylmethylidene]cyanamide
InChI:
InChI=1S/C12H13FN2OS2/c1-17-12(15-9-14)18-8-2-7-16-11-5-3-10(13)4-6-11/h3-6H,2,7-8H2,1H3
InChI Key:
DRUSHNZXUODHHW-UHFFFAOYSA-N
SMILES:
N#C/N=C(/SCCCOc1ccc(cc1)F)\SC

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.045g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.367g/mol
Monoisotopic Mass:
284.045g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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