N-(2,5-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide

N-(2,5-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide

Formula: C18H21N3O2S

SMILES: CC1=CC=C(C)C(NC(=S)N2CCN(CC2)C(=O)C2=CC=CO2)=C1

IUPAC: N-(2,5-dimethylphenyl)-4-(furan-2-carbonyl)piperazine-1-carbothioamide

InChI: InChI=1S/C18H21N3O2S/c1-13-5-6-14(2)15(12-13)19-18(24)21-9-7-20(8-10-21)17(22)16-4-3-11-23-16/h3-6,11-12H,7-10H2,1-2H3,(H,19,24)

Composition: C (62.95%), H (6.16%), N (12.24%), O (9.32%), S (9.33%)

Molar Mass: 343.45

Atom Count: 45

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	343.135448102
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	BKUBDJPSMVPYHI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	100.85
Topological Polar Surface Area	48.72
Polarizability	37.34
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H21N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00