3-(2-chlorobenzoyl)-1-[4-(dimethylamino)phenyl]thiourea

3-(2-chlorobenzoyl)-1-[4-(dimethylamino)phenyl]thiourea

Formula: C16H16ClN3OS

SMILES: CN(C)C1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2Cl)C=C1

IUPAC: 3-(2-chlorobenzoyl)-1-[4-(dimethylamino)phenyl]thiourea

InChI: InChI=1S/C16H16ClN3OS/c1-20(2)12-9-7-11(8-10-12)18-16(22)19-15(21)13-5-3-4-6-14(13)17/h3-10H,1-2H3,(H2,18,19,21,22)

Composition: C (57.57%), H (4.83%), Cl (10.62%), N (12.59%), O (4.79%), S (9.60%)

Molar Mass: 333.83

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	333.070261
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZKQXJMSEXIVKHK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.06
Topological Polar Surface Area	44.37
Polarizability	35.87
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16ClN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00