1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea

1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea

Formula: C16H16N2O3S

SMILES: COC1=CC=C(NC(=S)NC(=O)C2=CC=CC=C2)C=C1OC

IUPAC: 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea

InChI: InChI=1S/C16H16N2O3S/c1-20-13-9-8-12(10-14(13)21-2)17-16(22)18-15(19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19,22)

Composition: C (60.74%), H (5.10%), N (8.85%), O (15.17%), S (10.13%)

Molar Mass: 316.38

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	316.088163557
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LWPVPLGFIBUYGL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	90.75
Topological Polar Surface Area	59.59
Polarizability	34.2
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00