3-[(4-iodophenyl)amino]-1??,2-benzothiazole-1,1-dione

3-[(4-iodophenyl)amino]-1??,2-benzothiazole-1,1-dione

Formula: C13H9IN2O2S

SMILES: IC1=CC=C(NC2=NS(=O)(=O)C3=C2C=CC=C3)C=C1

IUPAC: 3-[(4-iodophenyl)amino]-1??,2-benzothiazole-1,1-dione

InChI: InChI=1S/C13H9IN2O2S/c14-9-5-7-10(8-6-9)15-13-11-3-1-2-4-12(11)19(17,18)16-13/h1-8H,(H,15,16)

Composition: C (40.64%), H (2.36%), I (33.03%), N (7.29%), O (8.33%), S (8.34%)

Molar Mass: 384.19

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	383.94294
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	WRASCMKEOPUYNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.07
Topological Polar Surface Area	58.53
Polarizability	32.18
Ring Count	3
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H9IN2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00