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(5E)-1-(3-chloro-4-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

(5E)-1-(3-chloro-4-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C22H15ClN2O3S

SMILES: CC1=CC=C(C=C1Cl)N1C(=S)NC(=O)C(=C/C2=CC=C(O2)C2=CC=CC=C2)C1=O

IUPAC: (5E)-1-(3-chloro-4-methylphenyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C22H15ClN2O3S/c1-13-7-8-15(11-18(13)23)25-21(27)17(20(26)24-22(25)29)12-16-9-10-19(28-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26,29)/b17-12+

Composition: C (62.49%), H (3.58%), Cl (8.38%), N (6.62%), O (11.35%), S (7.58%)

Molar Mass: 422.88

Atom Count: 44

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 422.0491912
Formal Charge 0
FSP3 0.05
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YYELPRIVNMLCRM-SFQUDFHCSA-N
Lipinski's Rule of Five
Molar Refractivity 116.04
Topological Polar Surface Area 62.55
Polarizability 45.45
Ring Count 4
Rotatable Bond Count 3

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Purity (%)
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Vitas M Chemical Limited
Purity LeadTime RefID PacketSize UnitPrice
90% <16 Days STK192215 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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