3-(2-chloro-5-iodobenzoyl)-1-[4-(pyrrolidin-1-yl)phenyl]thiourea

3-(2-chloro-5-iodobenzoyl)-1-[4-(pyrrolidin-1-yl)phenyl]thiourea

Formula: C18H17ClIN3OS

SMILES: ClC1=CC=C(I)C=C1C(=O)NC(=S)NC1=CC=C(C=C1)N1CCCC1

IUPAC: 3-(2-chloro-5-iodobenzoyl)-1-[4-(pyrrolidin-1-yl)phenyl]thiourea

InChI: InChI=1S/C18H17ClIN3OS/c19-16-8-3-12(20)11-15(16)17(24)22-18(25)21-13-4-6-14(7-5-13)23-9-1-2-10-23/h3-8,11H,1-2,9-10H2,(H2,21,22,24,25)

Composition: C (44.51%), H (3.53%), Cl (7.30%), I (26.12%), N (8.65%), O (3.29%), S (6.60%)

Molar Mass: 485.77

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	484.98256
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	NOHQUQZOIMVHMD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	117.96
Topological Polar Surface Area	44.37
Polarizability	43.89
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H17ClIN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00