5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C14H13ClN2O4S

SMILES: CCOC1=C(Cl)C=C(C=C2C(=O)NC(=S)NC2=O)C=C1OC

IUPAC: 5-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C14H13ClN2O4S/c1-3-21-11-9(15)5-7(6-10(11)20-2)4-8-12(18)16-14(22)17-13(8)19/h4-6H,3H2,1-2H3,(H2,16,17,18,19,22)

Composition: C (49.34%), H (3.85%), Cl (10.40%), N (8.22%), O (18.78%), S (9.41%)

Molar Mass: 340.78

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	340.0284558
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PFEBZRJOQIVRFQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.59
Topological Polar Surface Area	76.66
Polarizability	33.25
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H13ClN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00