3-methyl-1-(4-nitrobenzenecarbothioyl)piperidine

3-methyl-1-(4-nitrobenzenecarbothioyl)piperidine

Formula: C13H16N2O2S

SMILES: CC1CCCN(C1)C(=S)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 3-methyl-1-(4-nitrobenzenecarbothioyl)piperidine

InChI: InChI=1/C13H16N2O2S/c1-10-3-2-8-14(9-10)13(18)11-4-6-12(7-5-11)15(16)17/h4-7,10H,2-3,8-9H2,1H3

Composition: C (59.07%), H (6.10%), N (10.60%), O (12.10%), S (12.13%)

Molar Mass: 264.34

Atom Count: 34

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	264.093248937
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QSRLXVACMDPTSE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.85
Topological Polar Surface Area	46.38
Polarizability	28.71
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H16N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00