Introduction:Basic information about CAS 680217-67-8|4-[4-(TERT-BUTYL)PHENYL]-5-MERCAPTO-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-[4-(TERT-BUTYL)PHENYL]-5-MERCAPTO-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE |
|---|
| CAS Number | 680217-67-8 | Molecular Weight | 249.33200 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C12H15N3OS | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | 4-(4-tert-butylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Molecular Formula | C12H15N3OS |
|---|
| Molecular Weight | 249.33200 |
|---|
| Exact Mass | 249.09400 |
|---|
| PSA | 89.74000 |
|---|
| LogP | 2.55910 |
|---|
| InChIKey | WXCSEBGXQSTJAK-UHFFFAOYSA-N |
|---|
| SMILES | CC(C)(C)c1ccc(-n2c(=O)[nH][nH]c2=S)cc1 |
|---|
Synonyms
| 4-(4-tert-butylphenyl)-5-sulfanyl-2H-1,2,4-triazol-3-one |
| 4-(4-tert-butylphenyl)-5-mercapto-4H-1,2,4-triazol-3-ol |
| 4-[4-(tert-butyl)phenyl]-5-mercapto-2,4-dihydro-3H-1,2,4-triazol-3-one |