1-{4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}-3-phenylthiourea

1-{4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}-3-phenylthiourea

Formula: C21H21N3O2S2

SMILES: CC1=CC(NS(=O)(=O)C2=CC=C(NC(=S)NC3=CC=CC=C3)C=C2)=CC(C)=C1

IUPAC: 1-{4-[(3,5-dimethylphenyl)sulfamoyl]phenyl}-3-phenylthiourea

InChI: InChI=1S/C21H21N3O2S2/c1-15-12-16(2)14-19(13-15)24-28(25,26)20-10-8-18(9-11-20)23-21(27)22-17-6-4-3-5-7-17/h3-14,24H,1-2H3,(H2,22,23,27)

Composition: C (61.29%), H (5.14%), N (10.21%), O (7.78%), S (15.58%)

Molar Mass: 411.54

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	411.107519276
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	CCGOLWLWLUHSGR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	120.96
Topological Polar Surface Area	70.23
Polarizability	45.86
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21N3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00