(4Z)-4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

(4Z)-4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

Formula: C17H9ClN2O3S

SMILES: ClC1=CC2=C(OCO2)C=C1C=C1/SC2=NC3=CC=CC=C3N2C1=O

IUPAC: (4Z)-4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

InChI: InChI=1S/C17H9ClN2O3S/c18-10-7-14-13(22-8-23-14)5-9(10)6-15-16(21)20-12-4-2-1-3-11(12)19-17(20)24-15/h1-7H,8H2/b15-6-

Composition: C (57.23%), H (2.54%), Cl (9.94%), N (7.85%), O (13.45%), S (8.99%)

Molar Mass: 356.78

Atom Count: 33

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	356.002241
Formal Charge	0
FSP3	0.06
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	QEJQZUPIGJSIOR-UUASQNMZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.31
Topological Polar Surface Area	53.35
Polarizability	36.27
Ring Count	5
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H9ClN2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00