Cas no 1803811-32-6 (5-Mercaptobenzo[d]oxazole-2-carboxamide)

5-Mercaptobenzo[d]oxazole-2-carboxamide is a heterocyclic compound featuring a benzo[d]oxazole core substituted with a mercapto group at the 5-position and a carboxamide moiety at the 2-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis and pharmaceutical research. The presence of both thiol and carboxamide functional groups enhances its versatility for derivatization, enabling applications in the development of bioactive molecules, coordination chemistry, and material science. Its well-defined molecular framework ensures consistent performance in synthetic pathways, while its stability under standard conditions facilitates handling and storage. This compound is particularly useful in the design of sulfur-containing heterocycles and metal-chelating agents.
5-Mercaptobenzo[d]oxazole-2-carboxamide structure
1803811-32-6 structure
Product Name:5-Mercaptobenzo[d]oxazole-2-carboxamide
CAS No:1803811-32-6
MF:C8H6N2O2S
MW:194.210440158844
CID:4818048
Update Time:2025-06-07

5-Mercaptobenzo[d]oxazole-2-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 5-Mercaptobenzo[d]oxazole-2-carboxamide
    • Inchi: 1S/C8H6N2O2S/c9-7(11)8-10-5-3-4(13)1-2-6(5)12-8/h1-3,13H,(H2,9,11)
    • InChI Key: UKITUJQPKHPLDT-UHFFFAOYSA-N
    • SMILES: SC1C=CC2=C(C=1)N=C(C(N)=O)O2

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 224
  • XLogP3: 1.5
  • Topological Polar Surface Area: 70.1

5-Mercaptobenzo[d]oxazole-2-carboxamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A081005190-250mg
5-Mercaptobenzo[d]oxazole-2-carboxamide
1803811-32-6 98%
250mg
$766.79 2022-04-02
Alichem
A081005190-500mg
5-Mercaptobenzo[d]oxazole-2-carboxamide
1803811-32-6 98%
500mg
$1,180.19 2022-04-02
Alichem
A081005190-1g
5-Mercaptobenzo[d]oxazole-2-carboxamide
1803811-32-6 98%
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$1,844.74 2022-04-02
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