Text Search
Structure Search

3-(3-chlorophenyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(3-chlorophenyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Formula: C17H13ClN4S

SMILES: ClC1=CC=CC(=C1)C1=NN=C2SC(CCC3=CC=CC=C3)=NN12

IUPAC: 3-(3-chlorophenyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

InChI: InChI=1S/C17H13ClN4S/c18-14-8-4-7-13(11-14)16-19-20-17-22(16)21-15(23-17)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10H2

Composition: C (59.91%), H (3.84%), Cl (10.40%), N (16.44%), S (9.41%)

Molar Mass: 340.83

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 340.0549453
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KSKRPMQXUSMXBA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.5
Topological Polar Surface Area 43.08
Polarizability 35.49
Ring Count 4
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H13ClN4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote