Text Search
Structure Search

3-[2-(methylsulfanyl)quinolin-3-yl]-2-phenylprop-2-enenitrile

3-[2-(methylsulfanyl)quinolin-3-yl]-2-phenylprop-2-enenitrile

CAS: 1164476-25-8

Formula: C19H14N2S

SMILES: CSC1=NC2=CC=CC=C2C=C1C=C(C#N)C1=CC=CC=C1

IUPAC: 3-[2-(methylsulfanyl)quinolin-3-yl]-2-phenylprop-2-enenitrile

InChI: InChI=1S/C19H14N2S/c1-22-19-16(11-15-9-5-6-10-18(15)21-19)12-17(13-20)14-7-3-2-4-8-14/h2-12H,1H3

Composition: C (75.47%), H (4.67%), N (9.26%), S (10.60%)

Molar Mass: 302.4

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 302.087769633
Formal Charge 0
FSP3 0.05
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MMPOGQAJSXLRNV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 93.49
Topological Polar Surface Area 36.68
Polarizability 36.66
Ring Count 3
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 1164476-25-8 $51.35-$524.40$51.35$63.37$86.31$524.40
Request Quote