2-[(E)-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2-[(E)-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Formula: C19H17BrN2OS

SMILES: BrC1=CC(C=NC2=C(C#N)C3=C(CCCC3)S2)=CC=C1OCC=C

IUPAC: 2-[(E)-{[3-bromo-4-(prop-2-en-1-yloxy)phenyl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

InChI: InChI=1S/C19H17BrN2OS/c1-2-9-23-17-8-7-13(10-16(17)20)12-22-19-15(11-21)14-5-3-4-6-18(14)24-19/h2,7-8,10,12H,1,3-6,9H2/b22-12+

Composition: C (56.86%), H (4.27%), Br (19.91%), N (6.98%), O (3.99%), S (7.99%)

Molar Mass: 401.32

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	400.024497
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JKEJVUKWMVDNEQ-WSDLNYQXSA-N
Lipinski's Rule of Five
Molar Refractivity	104.04
Topological Polar Surface Area	45.38
Polarizability	38.15
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H17BrN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00