3-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea

3-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-1-[(2E)-3-phenylprop-2-enoyl]thiourea

Formula: C23H16ClN3OS2

SMILES: ClC1=CC=C(NC(=S)NC(=O)C=CC2=CC=CC=C2)C(=C1)C1=NC2=CC=CC=C2S1

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

InChI: InChI=1S/C23H16ClN3OS2/c24-16-11-12-18(17(14-16)22-25-19-8-4-5-9-20(19)30-22)26-23(29)27-21(28)13-10-15-6-2-1-3-7-15/h1-14H,(H2,26,27,28,29)/b13-10+

Composition: C (61.39%), H (3.58%), Cl (7.88%), N (9.34%), O (3.56%), S (14.25%)

Molar Mass: 449.97

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	449.0423322
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	YDYBYAWKQWSGEH-JLHYYAGUSA-N
Lipinski's Rule of Five
Molar Refractivity	138.55
Topological Polar Surface Area	54.02
Polarizability	50.28
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H16ClN3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00