Text Search
Structure Search

4-{[2-(4-chlorophenoxy)ethyl]sulfanyl}quinazoline

4-{[2-(4-chlorophenoxy)ethyl]sulfanyl}quinazoline

Formula: C16H13ClN2OS

SMILES: ClC1=CC=C(OCCSC2=NC=NC3=CC=CC=C23)C=C1

IUPAC: 4-{[2-(4-chlorophenoxy)ethyl]sulfanyl}quinazoline

InChI: InChI=1S/C16H13ClN2OS/c17-12-5-7-13(8-6-12)20-9-10-21-16-14-3-1-2-4-15(14)18-11-19-16/h1-8,11H,9-10H2

Composition: C (60.66%), H (4.14%), Cl (11.19%), N (8.84%), O (5.05%), S (10.12%)

Molar Mass: 316.8

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 316.0437119
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey JVOVJSQCUSFIJG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.43
Topological Polar Surface Area 35.01
Polarizability 34.93
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H13ClN2OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote