2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]acetohydrazide

2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]acetohydrazide

Formula: C22H19ClN4OS2

SMILES: CC1=CC(C=NNC(=O)CSC2=NC3=CC=CC=C3S2)=C(C)N1C1=CC=C(Cl)C=C1

IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-[(E)-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene]acetohydrazide

InChI: InChI=1S/C22H19ClN4OS2/c1-14-11-16(15(2)27(14)18-9-7-17(23)8-10-18)12-24-26-21(28)13-29-22-25-19-5-3-4-6-20(19)30-22/h3-12H,13H2,1-2H3,(H,26,28)/b24-12+

Composition: C (58.08%), H (4.21%), Cl (7.79%), N (12.31%), O (3.52%), S (14.09%)

Molar Mass: 454.99

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	454.0688813
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DYBFBPAKUGLREU-WYMPLXKRSA-N
Lipinski's Rule of Five
Molar Refractivity	135.37
Topological Polar Surface Area	59.28
Polarizability	49.1
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19ClN4OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00