(5E)-5-[(4-ethoxy-3-iodophenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

(5E)-5-[(4-ethoxy-3-iodophenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C21H19IN2O4S

SMILES: CCOC1=CC=C(C=C1)N1C(=S)NC(=O)C(=C/C2=CC=C(OCC)C(I)=C2)C1=O

IUPAC: (5E)-5-[(4-ethoxy-3-iodophenyl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C21H19IN2O4S/c1-3-27-15-8-6-14(7-9-15)24-20(26)16(19(25)23-21(24)29)11-13-5-10-18(28-4-2)17(22)12-13/h5-12H,3-4H2,1-2H3,(H,23,25,29)/b16-11+

Composition: C (48.29%), H (3.67%), I (24.29%), N (5.36%), O (12.25%), S (6.14%)

Molar Mass: 522.36

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	522.01102
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RVYGXLOWAUGZDG-LFIBNONCSA-N
Lipinski's Rule of Five
Molar Refractivity	124.57
Topological Polar Surface Area	67.87
Polarizability	47.8
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19IN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00