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845878-93-5 | Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate
CAS No: 845878-93-5 Catalog No: AG01F411 MDL No:
Product Description
Catalog Number:
AG01F411
Chemical Name:
Methyl [(1,3-dioxo-1H-isoindol-2(3H,4H,7H)-yl)methyl] cyanocarbonimidodithioate
CAS Number:
845878-93-5
Molecular Formula:
C12H11N3O2S2
Molecular Weight:
293.3646
IUPAC Name:
[(1,3-dioxo-4,7-dihydroisoindol-2-yl)methylsulfanyl-methylsulfanylmethylidene]cyanamide
InChI:
InChI=1S/C12H11N3O2S2/c1-18-12(14-6-13)19-7-15-10(16)8-4-2-3-5-9(8)11(15)17/h2-3H,4-5,7H2,1H3
InChI Key:
IRFZAROOUYRIOM-UHFFFAOYSA-N
SMILES:
CS/C(=N/C#N)/SCN1C(=O)C2=C(C1=O)CC=CC2
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.029g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.359g/mol
Monoisotopic Mass:
293.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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