4,5-dimethyl-8-phenyl-12-(prop-2-en-1-ylsulfanyl)-3-thia-1,8,10,11-tetraazatricyclo[7.3.0.0²,?]dodeca-2(6),4,9,11-tetraen-7-one

4,5-dimethyl-8-phenyl-12-(prop-2-en-1-ylsulfanyl)-3-thia-1,8,10,11-tetraazatricyclo[7.3.0.0²,?]dodeca-2(6),4,9,11-tetraen-7-one

Formula: C18H16N4OS2

SMILES: CC1=C(C)C2=C(S1)N1C(SCC=C)=NN=C1N(C2=O)C1=CC=CC=C1

IUPAC: 4,5-dimethyl-8-phenyl-12-(prop-2-en-1-ylsulfanyl)-3-thia-1,8,10,11-tetraazatricyclo[7.3.0.0²,?]dodeca-2(6),4,9,11-tetraen-7-one

InChI: InChI=1S/C18H16N4OS2/c1-4-10-24-18-20-19-17-21(13-8-6-5-7-9-13)15(23)14-11(2)12(3)25-16(14)22(17)18/h4-9H,1,10H2,2-3H3

Composition: C (58.67%), H (4.38%), N (15.21%), O (4.34%), S (17.40%)

Molar Mass: 368.47

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	368.076553499
Formal Charge	0
FSP3	0.17
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VVMRWJLHBNPAOU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	113.87
Topological Polar Surface Area	51.02
Polarizability	38.29
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16N4OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00