| CAS Number | 749906-86-3 |
| Catalog Number | AG019J8F |
| Chemical Name | 5-[1-(Dimethylamino)propyl]-1,3,4-oxadiazole-2-thiol |
| IUPAC Name | 5-[1-(dimethylamino)propyl]-3H-1,3,4-oxadiazole-2-thione |
| InChI | InChI=1S/C7H13N3OS/c1-4-5(10(2)3)6-8-9-7(12)11-6/h5H,4H2,1-3H3,(H,9,12) |
| InChI Key | CEGORZBYZGUULV-UHFFFAOYSA-N |
| MDL Number | MFCD06336091 |
| Molecular Formula | C7H13N3OS |
| Molecular Weight | 187.2626 |
| SMILES | CCC(C1OC(S)=NN=1)N(C)C |
| Synonyms | 5-[1-(dimethylamino)propyl]-1,3,4-oxadiazole-2-thiol,
749906-86-3,
AC1MWX3S,
AC1Q2SI7,
CTK6C8616,
HMS1754E05,
AKOS000117536,
MCULE-4403134091,
NE21808,
EN300-08809,
Z55928880,
5-[1-(dimethylamino)propyl]-3H-1,3,4-oxadiazole-2-thione,
CID3781306,
5-(1-dimethylaminopropyl)-3H-1,3,4-oxadiazole-2-thione,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.261g/mol |
| Monoisotopic Mass | 187.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number