Text Search
Structure Search

3-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid

3-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid

CAS: 604740-20-7

Formula: C10H9N3O3S

SMILES: OC(=O)CCSC1=NN=C(O1)C1=CC=NC=C1

IUPAC: 3-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}propanoic acid

InChI: InChI=1S/C10H9N3O3S/c14-8(15)3-6-17-10-13-12-9(16-10)7-1-4-11-5-2-7/h1-2,4-5H,3,6H2,(H,14,15)

Composition: C (47.80%), H (3.61%), N (16.72%), O (19.10%), S (12.76%)

Molar Mass: 251.26

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 251.036462336
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey HSRJAFMGXXALCQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.99
Topological Polar Surface Area 89.11
Polarizability 24.02
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 604740-20-7 $257.13$257.13
Request Quote
ChemBridge Corp.
Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 604740-20-7 $28.75-$1,518.00$28.75$116.15$297.85$1,518.00
Request Quote