3-(3,4-dimethylbenzoyl)-1-(3-nitrophenyl)thiourea

3-(3,4-dimethylbenzoyl)-1-(3-nitrophenyl)thiourea

Formula: C16H15N3O3S

SMILES: CC1=CC=C(C=C1C)C(=O)NC(=S)NC1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 3-(3,4-dimethylbenzoyl)-1-(3-nitrophenyl)thiourea

InChI: InChI=1S/C16H15N3O3S/c1-10-6-7-12(8-11(10)2)15(20)18-16(23)17-13-4-3-5-14(9-13)19(21)22/h3-9H,1-2H3,(H2,17,18,20,23)

Composition: C (58.35%), H (4.59%), N (12.76%), O (14.57%), S (9.73%)

Molar Mass: 329.37

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	329.083412529
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DVWPSCSKWIPOAD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.23
Topological Polar Surface Area	84.27
Polarizability	34.55
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00