1-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-chlorobenzoyl)thiourea

1-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-chlorobenzoyl)thiourea

Formula: C22H16ClN3OS2

SMILES: CC1=C(C=CC=C1NC(=S)NC(=O)C1=CC=C(Cl)C=C1)C1=NC2=CC=CC=C2S1

IUPAC: 1-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(4-chlorobenzoyl)thiourea

InChI: InChI=1S/C22H16ClN3OS2/c1-13-16(21-24-18-6-2-3-8-19(18)29-21)5-4-7-17(13)25-22(28)26-20(27)14-9-11-15(23)12-10-14/h2-12H,1H3,(H2,25,26,27,28)

Composition: C (60.33%), H (3.68%), Cl (8.09%), N (9.59%), O (3.65%), S (14.64%)

Molar Mass: 437.96

Atom Count: 45

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	437.0423322
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MJHHBUZTZWKYFA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.84
Topological Polar Surface Area	54.02
Polarizability	48.38
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16ClN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00