4-(morpholine-4-carbothioyl)phenyl 4-nitrobenzoate

4-(morpholine-4-carbothioyl)phenyl 4-nitrobenzoate

Formula: C18H16N2O5S

SMILES: [O-][N+](=O)C1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C(=S)N1CCOCC1

IUPAC: 4-(morpholine-4-carbothioyl)phenyl 4-nitrobenzoate

InChI: InChI=1S/C18H16N2O5S/c21-18(14-1-5-15(6-2-14)20(22)23)25-16-7-3-13(4-8-16)17(26)19-9-11-24-12-10-19/h1-8H,9-12H2

Composition: C (58.06%), H (4.33%), N (7.52%), O (21.48%), S (8.61%)

Molar Mass: 372.4

Atom Count: 42

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	372.077992797
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	XCNDUMKZXBBHEJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.12
Topological Polar Surface Area	81.91
Polarizability	37.9
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00