9-chloro-6??-thia-7,10-diazatricyclo[6.4.0.0²,?]dodeca-1(8),6,9,11-tetraen-6-one

9-chloro-6??-thia-7,10-diazatricyclo[6.4.0.0²,?]dodeca-1(8),6,9,11-tetraen-6-one

Formula: C9H9ClN2OS

SMILES: ClC1=NC=CC2=C1N=S1(=O)CCCC21

IUPAC: 9-chloro-6??-thia-7,10-diazatricyclo[6.4.0.0²,?]dodeca-1(8),6,9,11-tetraen-6-one

InChI: InChI=1/C9H9ClN2OS/c10-9-8-6(3-4-11-9)7-2-1-5-14(7,13)12-8/h3-4,7H,1-2,5H2

Composition: C (47.27%), H (3.97%), Cl (15.50%), N (12.25%), O (7.00%), S (14.02%)

Molar Mass: 228.69

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	228.0124118
Formal Charge	0
FSP3	0.44
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XLUXPCPMSYMZTL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.5
Topological Polar Surface Area	42.32
Polarizability	22.14
Ring Count	3
Rotatable Bond Count	0

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<2 Days	C9H9ClN2OS		$51.35-$86.31$51.35$63.37$86.31