1-[1-(adamantan-1-yl)ethyl]-3-[2-(4-chlorophenyl)acetyl]thiourea

1-[1-(adamantan-1-yl)ethyl]-3-[2-(4-chlorophenyl)acetyl]thiourea

Formula: C21H27ClN2OS

SMILES: CC(NC(=S)NC(=O)CC1=CC=C(Cl)C=C1)C12CC3CC(CC(C3)C1)C2

IUPAC: 1-[1-(adamantan-1-yl)ethyl]-3-[2-(4-chlorophenyl)acetyl]thiourea

InChI: InChI=1/C21H27ClN2OS/c1-13(21-10-15-6-16(11-21)8-17(7-15)12-21)23-20(26)24-19(25)9-14-2-4-18(22)5-3-14/h2-5,13,15-17H,6-12H2,1H3,(H2,23,24,25,26)

Composition: C (64.51%), H (6.96%), Cl (9.07%), N (7.17%), O (4.09%), S (8.20%)

Molar Mass: 390.97

Atom Count: 53

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	390.1532624
Formal Charge	0
FSP3	0.62
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	UAGGOFIKSNWUAW-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	109.73
Topological Polar Surface Area	41.13
Polarizability	43.41
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27ClN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00