3-(3-iodo-4-methylbenzoyl)-1-(4-sulfamoylphenyl)thiourea

3-(3-iodo-4-methylbenzoyl)-1-(4-sulfamoylphenyl)thiourea

Formula: C15H14IN3O3S2

SMILES: CC1=CC=C(C=C1I)C(=O)NC(=S)NC1=CC=C(C=C1)S(N)(=O)=O

IUPAC: 3-(3-iodo-4-methylbenzoyl)-1-(4-sulfamoylphenyl)thiourea

InChI: InChI=1S/C15H14IN3O3S2/c1-9-2-3-10(8-13(9)16)14(20)19-15(23)18-11-4-6-12(7-5-11)24(17,21)22/h2-8H,1H3,(H2,17,21,22)(H2,18,19,20,23)

Composition: C (37.90%), H (2.97%), I (26.70%), N (8.84%), O (10.10%), S (13.49%)

Molar Mass: 475.32

Atom Count: 38

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	474.95213
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	DTUNXJARFLRSGW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.39
Topological Polar Surface Area	101.29
Polarizability	41.36
Ring Count	2
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H14IN3O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00