3-benzoyl-1-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]thiourea

3-benzoyl-1-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]thiourea

Formula: C21H14ClN3OS2

SMILES: ClC1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C1C1=NC2=CC=CC=C2S1

IUPAC: 3-benzoyl-1-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]thiourea

InChI: InChI=1S/C21H14ClN3OS2/c22-16-11-10-14(23-21(27)25-19(26)13-6-2-1-3-7-13)12-15(16)20-24-17-8-4-5-9-18(17)28-20/h1-12H,(H2,23,25,26,27)

Composition: C (59.50%), H (3.33%), Cl (8.36%), N (9.91%), O (3.77%), S (15.13%)

Molar Mass: 423.93

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	423.0266821
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XGNFTMCEMVTABU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.8
Topological Polar Surface Area	54.02
Polarizability	46.63
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H14ClN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00