Text Search
Structure Search

2-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-3-carbonitrile

2-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-3-carbonitrile

Formula: C13H9ClN2S

SMILES: ClC1=CC=C(CSC2=NC=CC=C2C#N)C=C1

IUPAC: 2-{[(4-chlorophenyl)methyl]sulfanyl}pyridine-3-carbonitrile

InChI: InChI=1S/C13H9ClN2S/c14-12-5-3-10(4-6-12)9-17-13-11(8-15)2-1-7-16-13/h1-7H,9H2

Composition: C (59.88%), H (3.48%), Cl (13.60%), N (10.74%), S (12.30%)

Molar Mass: 260.74

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 260.0174972
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AHPZUCDHDURWDZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.16
Topological Polar Surface Area 36.68
Polarizability 27.62
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H9ClN2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote