| CAS Number | 871673-10-8 |
| Catalog Number | AG019ORQ |
| Chemical Name | 5-[(Tetrahydrofuran-2-ylmethyl)amino]-1,3,4-thiadiazole-2-thiol |
| IUPAC Name | 5-(oxolan-2-ylmethylamino)-3H-1,3,4-thiadiazole-2-thione |
| InChI | InChI=1S/C7H11N3OS2/c12-7-10-9-6(13-7)8-4-5-2-1-3-11-5/h5H,1-4H2,(H,8,9)(H,10,12) |
| InChI Key | WIFSGOAHPPGXIL-UHFFFAOYSA-N |
| MDL Number | MFCD07366449 |
| Molecular Formula | C7H11N3OS2 |
| Molecular Weight | 217.3117 |
| SMILES | SC1SC(NCC2OCCC2)=NN=1 |
| Synonyms | 5-[(oxolan-2-ylmethyl)amino]-1,3,4-thiadiazole-2-thiol,
871673-10-8,
5-{[(oxolan-2-yl)methyl]amino}-1,3,4-thiadiazole-2-thiol,
5-[(tetrahydrofuran-2-ylmethyl)amino]-1,3,4-thiadiazole-2-thiol,
AC1Q7GKQ,
AKOS000123636,
AKOS017279728,
MCULE-5966092049,
NE33159,
EN300-15014,
Z118257636,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.305g/mol |
| Monoisotopic Mass | 217.034g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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