8-[(2-methoxyphenyl)methyl]-12-sulfanylidene-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.0²,?]dodeca-2(6),3,9-trien-7-one

8-[(2-methoxyphenyl)methyl]-12-sulfanylidene-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.0²,?]dodeca-2(6),3,9-trien-7-one

Formula: C15H12N4O2S2

SMILES: COC1=CC=CC=C1CN1C2=NNC(=S)N2C2=C(SC=C2)C1=O

IUPAC: 8-[(2-methoxyphenyl)methyl]-12-sulfanylidene-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.0²,?]dodeca-2(6),3,9-trien-7-one

InChI: InChI=1S/C15H12N4O2S2/c1-21-11-5-3-2-4-9(11)8-18-13(20)12-10(6-7-23-12)19-14(18)16-17-15(19)22/h2-7H,8H2,1H3,(H,17,22)

Composition: C (52.31%), H (3.51%), N (16.27%), O (9.29%), S (18.62%)

Molar Mass: 344.41

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	344.04016799
Formal Charge	0
FSP3	0.13
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LNOVJQBSZAULDK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.55
Topological Polar Surface Area	57.17
Polarizability	34.48
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H12N4O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00