2-{2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}-2-oxoethyl morpholine-4-carbodithioate

2-{2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}-2-oxoethyl morpholine-4-carbodithioate

Formula: C21H22N2O2S2

SMILES: O=C(CSC(=S)N1CCOCC1)N1C2=CC=CC=C2CCC2=C1C=CC=C2

IUPAC: 2-{2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}-2-oxoethyl morpholine-4-carbodithioate

InChI: InChI=1S/C21H22N2O2S2/c24-20(15-27-21(26)22-11-13-25-14-12-22)23-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)23/h1-8H,9-15H2

Composition: C (63.29%), H (5.56%), N (7.03%), O (8.03%), S (16.09%)

Molar Mass: 398.54

Atom Count: 49

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	398.112270304
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MMNYFSQLKSRTSC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.93
Topological Polar Surface Area	32.78
Polarizability	44.43
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22N2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00