| CAS Number | 66180-50-5 |
| Catalog Number | AG019WUQ(AGN-PC-07HCII) |
| Chemical Name | 5-(Pyrrolidin-1-yl)-1,3,4-thiadiazole-2-thiol |
| IUPAC Name | 5-pyrrolidin-1-yl-3H-1,3,4-thiadiazole-2-thione |
| InChI | InChI=1S/C6H9N3S2/c10-6-8-7-5(11-6)9-3-1-2-4-9/h1-4H2,(H,8,10) |
| InChI Key | JZJHGTCUTANFKS-UHFFFAOYSA-N |
| MDL Number | MFCD16044840 |
| Molecular Formula | C6H9N3S2 |
| Molecular Weight | 187.2858 |
| SMILES | SC1SC(N2CCCC2)=NN=1 |
| Synonyms | 5-(pyrrolidin-1-yl)-1,3,4-thiadiazole-2-thiol,
66180-50-5,
5-(pyrrolidin-1-yl)-2,3-dihydro-1,3,4-thiadiazole-2-thione,
AC1Q7F36,
CTK8A7810,
ZINC38342156,
AKOS010288182,
MCULE-1479990306,
NE15919,
EN300-53205,
Z1245633367,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.279g/mol |
| Monoisotopic Mass | 187.024g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number