2-iodo-N-{2-[(2-methylphenyl)sulfanyl]ethyl}benzamide

2-iodo-N-{2-[(2-methylphenyl)sulfanyl]ethyl}benzamide

Formula: C16H16INOS

SMILES: CC1=CC=CC=C1SCCNC(=O)C1=CC=CC=C1I

IUPAC: 2-iodo-N-{2-[(2-methylphenyl)sulfanyl]ethyl}benzamide

InChI: InChI=1S/C16H16INOS/c1-12-6-2-5-9-15(12)20-11-10-18-16(19)13-7-3-4-8-14(13)17/h2-9H,10-11H2,1H3,(H,18,19)

Composition: C (48.37%), H (4.06%), I (31.94%), N (3.53%), O (4.03%), S (8.07%)

Molar Mass: 397.27

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	396.99973
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	CRTHITMKNHJTCR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.49
Topological Polar Surface Area	29.1
Polarizability	36.26
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H16INOS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00