2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
Basic information
- CAS
454428-62-7- Standard SMILES
CSc1ccccc1NC(=O)CSc1n[nH]c(N)n1- InChIKey
PALKPZCFLFSWCP-UHFFFAOYSA-N- Molecular formula
- C11H13N5OS2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.0561524
Names & identifiers
- Preferred name
- 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
- IUPAC
- 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
Names & synonyms
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamideMLS001007284CHEMBL1350895DTXSID101329137HMS2734A20AKOS008904229454428-62-7SMR000352523SR-01000032143SR-01000032143-1Z183571122-[(5-Amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(methylsulfanyl)phenyl]acetamide
Database identifiers
- CAS
454428-62-7- PubChem CID
- 5102802
- DTXSID
DTXSID101329137- ChEMBL
CHEMBL1350895
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Experimental & physicochemical properties
Solubility38.6 [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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