3-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorobenzoyl)thiourea

3-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorobenzoyl)thiourea

Formula: C18H16FN3OS2

SMILES: CC1CCC2=C(C1)SC(NC(=S)NC(=O)C1=CC=C(F)C=C1)=C2C#N

IUPAC: 3-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(4-fluorobenzoyl)thiourea

InChI: InChI=1/C18H16FN3OS2/c1-10-2-7-13-14(9-20)17(25-15(13)8-10)22-18(24)21-16(23)11-3-5-12(19)6-4-11/h3-6,10H,2,7-8H2,1H3,(H2,21,22,23,24)

Composition: C (57.89%), H (4.32%), F (5.09%), N (11.25%), O (4.28%), S (17.17%)

Molar Mass: 373.46

Atom Count: 41

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	373.071882658
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	GFKXPMURZARDMG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	102
Topological Polar Surface Area	64.92
Polarizability	37.66
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16FN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00