N'-(2-methoxyphenyl)-N-[(methylcarbamothioyl)amino]propanediamide

N'-(2-methoxyphenyl)-N-[(methylcarbamothioyl)amino]propanediamide

Formula: C12H16N4O3S

SMILES: CNC(=S)NNC(=O)CC(=O)NC1=CC=CC=C1OC

IUPAC: N'-(2-methoxyphenyl)-N-[(methylcarbamothioyl)amino]propanediamide

InChI: InChI=1S/C12H16N4O3S/c1-13-12(20)16-15-11(18)7-10(17)14-8-5-3-4-6-9(8)19-2/h3-6H,7H2,1-2H3,(H,14,17)(H,15,18)(H2,13,16,20)

Composition: C (48.64%), H (5.44%), N (18.91%), O (16.20%), S (10.82%)

Molar Mass: 296.35

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.094311565
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	4
InChIKey	LWVFWBJDYYWALM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.98
Topological Polar Surface Area	91.49
Polarizability	30.2
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16N4O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00