2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile

2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile

Formula: C17H14N2OS2

SMILES: CCOC1=CC=C2N=C(SCC3=CC=CC=C3C#N)SC2=C1

IUPAC: 2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]methyl}benzonitrile

InChI: InChI=1S/C17H14N2OS2/c1-2-20-14-7-8-15-16(9-14)22-17(19-15)21-11-13-6-4-3-5-12(13)10-18/h3-9H,2,11H2,1H3

Composition: C (62.55%), H (4.32%), N (8.58%), O (4.90%), S (19.64%)

Molar Mass: 326.43

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	326.054755427
Formal Charge	0
FSP3	0.18
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BHPWNKCHZIKBFQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	90.96
Topological Polar Surface Area	45.91
Polarizability	36.32
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H14N2OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00