11-(4-methoxyphenyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6)-dien-12-one

11-(4-methoxyphenyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6)-dien-12-one

Formula: C16H14N2O2S2

SMILES: COC1=CC=C(C=C1)N1C(=S)NC2=C(C3=C(CCC3)S2)C1=O

IUPAC: 11-(4-methoxyphenyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6)-dien-12-one

InChI: InChI=1S/C16H14N2O2S2/c1-20-10-7-5-9(6-8-10)18-15(19)13-11-3-2-4-12(11)22-14(13)17-16(18)21/h5-8H,2-4H2,1H3,(H,17,21)

Composition: C (58.16%), H (4.27%), N (8.48%), O (9.68%), S (19.41%)

Molar Mass: 330.42

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	330.049670047
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RUXQHFWNAXLQOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.99
Topological Polar Surface Area	41.57
Polarizability	34.45
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14N2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00