4-(2H-1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carbothioamide

4-(2H-1,3-benzodioxol-5-ylmethyl)-N-phenylpiperazine-1-carbothioamide

Formula: C19H21N3O2S

SMILES: S=C(NC1=CC=CC=C1)N1CCN(CC2=CC=C3OCOC3=C2)CC1

IUPAC: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenylpiperazine-1-carbothioamide

InChI: InChI=1S/C19H21N3O2S/c25-19(20-16-4-2-1-3-5-16)22-10-8-21(9-11-22)13-15-6-7-17-18(12-15)24-14-23-17/h1-7,12H,8-11,13-14H2,(H,20,25)

Composition: C (64.20%), H (5.96%), N (11.82%), O (9.00%), S (9.02%)

Molar Mass: 355.46

Atom Count: 46

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	355.135448102
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MKNKIEVDDRZTOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.81
Topological Polar Surface Area	36.97
Polarizability	39.94
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00