Basic information
- CAS
30452-54-1- Standard SMILES
NC(=O)CSc1n[nH]c(-c2ccco2)n1- InChIKey
ZKUREBMLSDJONZ-UHFFFAOYSA-N- Molecular formula
- C8H8N4O2S
- Average molar mass
- 224.24 g/mol
- Monoisotopic mass
- 224.03679668
Names & identifiers
- Preferred name
- 2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
- IUPAC
- 2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
Names & synonyms
2-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide2-{[5-(FURAN-2-YL)-1H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE2-{[5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide30452-54-1MLS000688764CHEMBL1883697DTXSID001327776HMS1675M04HMS2771K09STK927299AKOS000562405AKOS002376110
Show more names
SMR000285815ST50268892AB00661787-02SR-01000312798SR-01000312798-12-(5-(2-furyl)-1H-1,2,4-triazol-3-ylthio)acetamideZ220558072
Database identifiers
- CAS
30452-54-1- PubChem CID
- 735686
- DTXSID
DTXSID001327776- ChEMBL
CHEMBL1883697
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
Solubility27.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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