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

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

Formula: C12H8N4OS3

SMILES: O=C1N(CC2=CC=CS2)C2=NNC(=S)N2C2=C1SC=C2

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

InChI: InChI=1S/C12H8N4OS3/c17-10-9-8(3-5-20-9)16-11(13-14-12(16)18)15(10)6-7-2-1-4-19-7/h1-5H,6H2,(H,14,18)

Composition: C (44.98%), H (2.52%), N (17.49%), O (4.99%), S (30.02%)

Molar Mass: 320.4

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	319.986024416
Formal Charge	0
FSP3	0.08
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RVHXVDAZFZEJSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.97
Topological Polar Surface Area	47.94
Polarizability	30.65
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H8N4OS3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00