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

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

Formula: C18H17N3OS2

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

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

InChI: InChI=1/C18H17N3OS2/c1-11-7-8-13-14(10-19)17(24-15(13)9-11)21-18(23)20-16(22)12-5-3-2-4-6-12/h2-6,11H,7-9H2,1H3,(H2,20,21,22,23)

Composition: C (60.82%), H (4.82%), N (11.82%), O (4.50%), S (18.04%)

Molar Mass: 355.47

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	355.081304527
Formal Charge	0
FSP3	0.28
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	AGBUVBDNPMTXRT-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	101.78
Topological Polar Surface Area	64.92
Polarizability	37.98
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17N3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00