5-(3-chloro-4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraene-4,6-dione

5-(3-chloro-4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraene-4,6-dione

Formula: C16H10ClN3O2S

SMILES: CC1=CC=C(C=C1Cl)N1C(=O)NC2=C(SC3=C2C=CC=N3)C1=O

IUPAC: 5-(3-chloro-4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraene-4,6-dione

InChI: InChI=1S/C16H10ClN3O2S/c1-8-4-5-9(7-11(8)17)20-15(21)13-12(19-16(20)22)10-3-2-6-18-14(10)23-13/h2-7H,1H3,(H,19,22)

Composition: C (55.90%), H (2.93%), Cl (10.31%), N (12.22%), O (9.31%), S (9.33%)

Molar Mass: 343.79

Atom Count: 33

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	343.0182254
Formal Charge	0
FSP3	0.06
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KBXJCBIEDNLMGE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.22
Topological Polar Surface Area	62.3
Polarizability	33.55
Ring Count	4
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H10ClN3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00