2-(benzylsulfanyl)-N'-[(E)-(3-chloro-5-methyl-1-phenylpyrazol-4-yl)methylidene]propanehydrazide

2-(benzylsulfanyl)-N'-[(E)-(3-chloro-5-methyl-1-phenylpyrazol-4-yl)methylidene]propanehydrazide

Formula: C21H21ClN4OS

SMILES: CC(SCC1=CC=CC=C1)C(=O)NN=CC1=C(C)N(N=C1Cl)C1=CC=CC=C1

IUPAC: 2-(benzylsulfanyl)-N'-[(E)-(3-chloro-5-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]propanehydrazide

InChI: InChI=1/C21H21ClN4OS/c1-15-19(20(22)25-26(15)18-11-7-4-8-12-18)13-23-24-21(27)16(2)28-14-17-9-5-3-6-10-17/h3-13,16H,14H2,1-2H3,(H,24,27)/b23-13+

Composition: C (61.08%), H (5.13%), Cl (8.58%), N (13.57%), O (3.87%), S (7.76%)

Molar Mass: 412.94

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	412.1124602
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KIFPBXWXETXPAR-YDZHTSKRNA-N
Lipinski's Rule of Five
Molar Refractivity	118.58
Topological Polar Surface Area	59.28
Polarizability	44.91
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21ClN4OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00