3-butanoyl-1-(2-methoxyphenyl)thiourea

3-butanoyl-1-(2-methoxyphenyl)thiourea

Formula: C12H16N2O2S

SMILES: CCCC(=O)NC(=S)NC1=CC=CC=C1OC

IUPAC: 3-butanoyl-1-(2-methoxyphenyl)thiourea

InChI: InChI=1S/C12H16N2O2S/c1-3-6-11(15)14-12(17)13-9-7-4-5-8-10(9)16-2/h4-5,7-8H,3,6H2,1-2H3,(H2,13,14,15,17)

Composition: C (57.12%), H (6.39%), N (11.10%), O (12.68%), S (12.71%)

Molar Mass: 252.33

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.093248937
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RFAXXUJZUNYLTE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.85
Topological Polar Surface Area	50.36
Polarizability	27.83
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00