2-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Formula: C16H12ClFN2S

SMILES: FC1=C(C=NC2=C(C#N)C3=C(CCCC3)S2)C(Cl)=CC=C1

IUPAC: 2-[(E)-[(2-chloro-6-fluorophenyl)methylidene]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

InChI: InChI=1S/C16H12ClFN2S/c17-13-5-3-6-14(18)12(13)9-20-16-11(8-19)10-4-1-2-7-15(10)21-16/h3,5-6,9H,1-2,4,7H2/b20-9+

Composition: C (60.28%), H (3.79%), Cl (11.12%), F (5.96%), N (8.79%), S (10.06%)

Molar Mass: 318.79

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	318.0393754
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QKVHSFAPJXTQIN-AWQFTUOYSA-N
Lipinski's Rule of Five
Molar Refractivity	85.82
Topological Polar Surface Area	36.15
Polarizability	31.03
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H12ClFN2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00