11-benzyl-5-[(2-methylprop-2-en-1-yl)sulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

11-benzyl-5-[(2-methylprop-2-en-1-yl)sulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

Formula: C20H22N4S2

SMILES: CC(=C)CSC1=NC(N)=C2C(SC3=C2CCN(CC2=CC=CC=C2)C3)=N1

IUPAC: 11-benzyl-5-[(2-methylprop-2-en-1-yl)sulfanyl]-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraen-3-amine

InChI: InChI=1S/C20H22N4S2/c1-13(2)12-25-20-22-18(21)17-15-8-9-24(10-14-6-4-3-5-7-14)11-16(15)26-19(17)23-20/h3-7H,1,8-12H2,2H3,(H2,21,22,23)

Composition: C (62.80%), H (5.80%), N (14.65%), S (16.76%)

Molar Mass: 382.54

Atom Count: 48

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	382.128589072
Formal Charge	0
FSP3	0.3
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RYQIILIDJZWXFN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	113.48
Topological Polar Surface Area	55.04
Polarizability	43.08
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H22N4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00