3-(adamantan-1-yl)-1-(5-bromo-2-chlorobenzoyl)thiourea

3-(adamantan-1-yl)-1-(5-bromo-2-chlorobenzoyl)thiourea

Formula: C18H20BrClN2OS

SMILES: ClC1=CC=C(Br)C=C1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2

IUPAC: 3-(adamantan-1-yl)-1-(5-bromo-2-chlorobenzoyl)thiourea

InChI: InChI=1S/C18H20BrClN2OS/c19-13-1-2-15(20)14(6-13)16(23)21-17(24)22-18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H2,21,22,23,24)

Composition: C (50.54%), H (4.71%), Br (18.68%), Cl (8.29%), N (6.55%), O (3.74%), S (7.49%)

Molar Mass: 427.79

Atom Count: 44

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	426.016825
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	FHYNFOZLOKXIRP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	104.31
Topological Polar Surface Area	41.13
Polarizability	40.45
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20BrClN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00