11-amino-10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

11-amino-10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

Formula: C11H13N3OS

SMILES: CCC1=NC2=C(C3=C(CCC3)S2)C(=O)N1N

IUPAC: 11-amino-10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

InChI: InChI=1S/C11H13N3OS/c1-2-8-13-10-9(11(15)14(8)12)6-4-3-5-7(6)16-10/h2-5,12H2,1H3

Composition: C (56.15%), H (5.57%), N (17.86%), O (6.80%), S (13.62%)

Molar Mass: 235.31

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	235.077933225
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VGJMYBJYKICXJP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.59
Topological Polar Surface Area	58.69
Polarizability	23.45
Ring Count	3
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C11H13N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00