10,13-dioxa-4,6-diazatricyclo[7.4.0.0³,?]trideca-1(9),2,7-triene-5-thione

10,13-dioxa-4,6-diazatricyclo[7.4.0.0³,?]trideca-1(9),2,7-triene-5-thione

Formula: C9H8N2O2S

SMILES: S=C1NC2=CC3=C(OCCO3)C=C2N1

IUPAC: 10,13-dioxa-4,6-diazatricyclo[7.4.0.0³,?]trideca-1(9),2,7-triene-5-thione

InChI: InChI=1S/C9H8N2O2S/c14-9-10-5-3-7-8(4-6(5)11-9)13-2-1-12-7/h3-4H,1-2H2,(H2,10,11,14)

Composition: C (51.91%), H (3.87%), N (13.45%), O (15.37%), S (15.40%)

Molar Mass: 208.24

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	208.03064868
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PMTXBVARJFBMAC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.94
Topological Polar Surface Area	42.52
Polarizability	21.45
Ring Count	3
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H8N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00