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(5Z)-1-(2,3-dichlorophenyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

(5Z)-1-(2,3-dichlorophenyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C17H10Cl2N2O3S

SMILES: ClC1=C(Cl)C(=CC=C1)N1C(=S)NC(=O)C(=CC=CC2=CC=CO2)C1=O

IUPAC: (5Z)-1-(2,3-dichlorophenyl)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C17H10Cl2N2O3S/c18-12-7-2-8-13(14(12)19)21-16(23)11(15(22)20-17(21)25)6-1-4-10-5-3-9-24-10/h1-9H,(H,20,22,25)/b4-1+,11-6-

Composition: C (51.92%), H (2.56%), Cl (18.03%), N (7.12%), O (12.21%), S (8.15%)

Molar Mass: 393.24

Atom Count: 35

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 391.9789188
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XPWBUEHPRHCINX-PZXDNKHOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.11
Topological Polar Surface Area 62.55
Polarizability 38.15
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H10Cl2N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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