ethyl 4-[(4-nitrophenyl)carbamothioyl]piperazine-1-carboxylate

ethyl 4-[(4-nitrophenyl)carbamothioyl]piperazine-1-carboxylate

Formula: C14H18N4O4S

SMILES: CCOC(=O)N1CCN(CC1)C(=S)NC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: ethyl 4-[(4-nitrophenyl)carbamothioyl]piperazine-1-carboxylate

InChI: InChI=1S/C14H18N4O4S/c1-2-22-14(19)17-9-7-16(8-10-17)13(23)15-11-3-5-12(6-4-11)18(20)21/h3-6H,2,7-10H2,1H3,(H,15,23)

Composition: C (49.69%), H (5.36%), N (16.56%), O (18.91%), S (9.47%)

Molar Mass: 338.38

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	338.10487625
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OLSHQZAPNIDTLH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.4
Topological Polar Surface Area	87.95
Polarizability	33.85
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H18N4O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00