| CAS Number | 750599-40-7 |
| Catalog Number | AG019J88 |
| Chemical Name | 5-[1-(dimethylamino)propyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| IUPAC Name | 3-[1-(dimethylamino)propyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione |
| InChI | InChI=1S/C14H20N4OS/c1-5-12(17(2)3)13-15-16-14(20)18(13)10-6-8-11(19-4)9-7-10/h6-9,12H,5H2,1-4H3,(H,16,20) |
| InChI Key | UTPHCUBHEWXMLE-UHFFFAOYSA-N |
| MDL Number | MFCD06335076 |
| Molecular Formula | C14H20N4OS |
| Molecular Weight | 292.3998 |
| SMILES | CCC(C1N(C2=CC=C(OC)C=C2)C(S)=NN=1)N(C)C |
| Synonyms | 5-[1-(dimethylamino)propyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol,
750599-40-7,
AC1NQ3QB,
AC1Q2SI2,
CTK7A4406,
CTK8F6654,
NE26148,
EN300-08802,
SR-01000052955,
SR-01000052955-1,
3-[1-(dimethylamino)propyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione,
CID5169131,
5-(1-dimethylaminopropyl)-4-(4-methoxyphenyl)-2H-1,2,4-triazole-3-thione,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.401g/mol |
| Monoisotopic Mass | 292.136g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number