5-Isothiocyanato-2-(5-methylfuran-2-yl)-1,3-benzoxazole

Base Information

• Chemical Name: 5-Isothiocyanato-2-(5-methylfuran-2-yl)-1,3-benzoxazole
• CAS No.: 51299-48-0
• Molecular Formula: C13H8N2O2S
• ChEMBL ID: CHEMBL174714
• DSSTox Substance ID: DTXSID20509727
• Mol file: 51299-48-0.mol

Synonyms:51299-48-0;5-Isothiocyanato-2-(5-methylfuran-2-yl)-1,3-benzoxazole;CHEMBL174714;DTXSID20509727;JVXYRLHUONKFHQ-UHFFFAOYSA-N;Isothiocyanic acid, 2-(5-methyl-2-furyl)-5-benzoxazolyl ester

Chemical Property of 5-Isothiocyanato-2-(5-methylfuran-2-yl)-1,3-benzoxazole

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 256.03064868
• Heavy Atom Count: 18
• Complexity: 359

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(O1)C2=NC3=C(O2)C=CC(=C3)N=C=S

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