| CAS Number | 218795-74-5 |
| Catalog Number | AG00BJY7 |
| Chemical Name | N1-(tert-butyl)-2-(2,4-dihydroxybenzylidene)hydrazine-1-carbothioamide |
| IUPAC Name | 1-tert-butyl-1-[(E)-(2,4-dihydroxyphenyl)methylideneamino]thiourea |
| InChI | InChI=1S/C12H17N3O2S/c1-12(2,3)15(11(13)18)14-7-8-4-5-9(16)6-10(8)17/h4-7,16-17H,1-3H3,(H2,13,18)/b14-7+ |
| InChI Key | VIRVBBKFACXNHJ-VGOFMYFVSA-N |
| MDL Number | MFCD00096693 |
| Molecular Formula | C12H17N3O2S |
| Molecular Weight | 267.3473 |
| SMILES | N(C(NC(C)(C)C)=S)/N=C/C1=CC=C(O)C=C1O |
| Synonyms | |
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 267.104148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.35g/mol |
| Monoisotopic Mass | 267.104148g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 114Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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