11-benzyl-12-hydroxy-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8-triene-10-thione

11-benzyl-12-hydroxy-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8-triene-10-thione

Formula: C16H14N2OS2

SMILES: OC1=C2C(SC3=C2CCC3)=NC(=S)N1CC1=CC=CC=C1

IUPAC: 11-benzyl-12-hydroxy-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(12),2(6),8-triene-10-thione

InChI: InChI=1S/C16H14N2OS2/c19-15-13-11-7-4-8-12(11)21-14(13)17-16(20)18(15)9-10-5-2-1-3-6-10/h1-3,5-6,19H,4,7-9H2

Composition: C (61.12%), H (4.49%), N (8.91%), O (5.09%), S (20.39%)

Molar Mass: 314.42

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	314.054755427
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XKOFVFNNRPPMKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.54
Topological Polar Surface Area	35.83
Polarizability	35.11
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14N2OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00