Oxazolo[4,5-b]pyridine-2(3H)-thione

Name: Oxazolo[4,5-b]pyridine-2(3H)-thione
Brand: ChemScene
Availability: InStock
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CAS No. 53052-06-5
Cat. No. CS-0081565
Molecule weight152.17
Purity≥95%
MDL No.MFCD00973914

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Oxazolo[4,5-b]pyridine-2(3H)-thione|CS-0081565

Structure of 53052-06-5

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General Information

CAS No. 53052-06-5
Cat. No. CS-0081565
Purity ≥95%
MDL No. MFCD00973914
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄N₂OS
Molecular Weight 152.17
Synonym(s) OXAZOLO[4,5-B]PYRIDIN-2(3H)THIONE
SMILES S=C1OC2=CC=CN=C2N1

Description

Oxazolo[4,5-b]pyridine-2(3H)-thione integrates a fused oxazole-pyridine core with a reactive thione functionality, enabling direct incorporation into heterocyclic scaffolds. This electron-deficient system enhances conjugation and facilitates nucleophilic substitution, offering robust utility in medicinal chemistry and materials science applications under standard bench conditions.

Application

Oxazolo[4,5-b]pyridine-2(3H)-thione serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its fused oxazole-pyridine core provides enhanced metabolic stability and favorable electronic properties. The thione functionality enables selective derivatization via nucleophilic substitution or metal-catalyzed coupling, facilitating access to diverse analogs. Bench-stable and amenable to standard purification methods, it functions effectively in multi-step syntheses requiring robust scaffold integrity.

Synthesis

Route1
- In-stock
  
  16867-03-1
- 140-89-6
- ~82%
- In-stock
  
  53052-06-5
References
- Deligeorgiev, Todor G.; Kaloyanova, Stefka S.; Lesev, Nedyalko Y.; Vaquero, Juan J. Monatshefte fur Chemie, 2011 , vol. 142, # 9 p. 895 - 899
Route2
- 75-15-0
- In-stock
  
  16867-03-1
- ~83%
- In-stock
  
  53052-06-5
References
- Shao, Ning; Aslanian, Robert; West Jr., Robert E.; Williams, Shirley M.; Wu, Ren-Long; Hwa, Joyce; Sondey, Christopher; Lachowicz, Jean; Palani, Anandan Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 5 p. 2075 - 2078

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 41.82
LogP 1.88539
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Oxazolidine compounds

Key Words

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Oxazolo[4,5-b]pyridine-2(3H)-thione

CAS No. 53052-06-5

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