3-(adamantan-1-yl)-1-(2-bromobenzoyl)thiourea

3-(adamantan-1-yl)-1-(2-bromobenzoyl)thiourea

Formula: C18H21BrN2OS

SMILES: BrC1=CC=CC=C1C(=O)NC(=S)NC12CC3CC(CC(C3)C1)C2

IUPAC: 3-(adamantan-1-yl)-1-(2-bromobenzoyl)thiourea

InChI: InChI=1S/C18H21BrN2OS/c19-15-4-2-1-3-14(15)16(22)20-17(23)21-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,20,21,22,23)

Composition: C (54.96%), H (5.38%), Br (20.31%), N (7.12%), O (4.07%), S (8.15%)

Molar Mass: 393.34

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	392.055797
Formal Charge	0
FSP3	0.56
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	KEXRTWDAYSNZPL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.51
Topological Polar Surface Area	41.13
Polarizability	38.52
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21BrN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00