5-bromo-6-hydroxy-8-thia-10,15-diazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(9),2(7),3,5,10-pentaen-16-one

5-bromo-6-hydroxy-8-thia-10,15-diazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(9),2(7),3,5,10-pentaen-16-one

Formula: C13H9BrN2O2S

SMILES: OC1=C(Br)C=CC2=C1SC1=C2C(=O)N2CCCC2=N1

IUPAC: 5-bromo-6-hydroxy-8-thia-10,15-diazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(9),2(7),3,5,10-pentaen-16-one

InChI: InChI=1S/C13H9BrN2O2S/c14-7-4-3-6-9-12(19-11(6)10(7)17)15-8-2-1-5-16(8)13(9)18/h3-4,17H,1-2,5H2

Composition: C (46.31%), H (2.69%), Br (23.70%), N (8.31%), O (9.49%), S (9.51%)

Molar Mass: 337.19

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	335.956812
Formal Charge	0
FSP3	0.23
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PCJYQCZDTDWCQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.29
Topological Polar Surface Area	52.9
Polarizability	29.45
Ring Count	4
Rotatable Bond Count	0

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H9BrN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00