| CAS Number | 1820608-36-3 |
| Catalog Number | AG01AS36(AGN-PC-0WCO81) |
| Chemical Name | 1-methyl-5-(pyrrolidin-3-ylsulfanyl)-1H-1,2,3,4-tetrazole hydrochloride |
| IUPAC Name | 1-methyl-5-pyrrolidin-3-ylsulfanyltetrazole;hydrochloride |
| InChI | InChI=1S/C6H11N5S.ClH/c1-11-6(8-9-10-11)12-5-2-3-7-4-5;/h5,7H,2-4H2,1H3;1H |
| InChI Key | BIZAGWTXJSMFHF-UHFFFAOYSA-N |
| MDL Number | MFCD26793085 |
| Molecular Formula | C6H12ClN5S |
| Molecular Weight | 221.7110 |
| SMILES | Cl.CN1C(SC2CNCC2)=NN=N1 |
| Synonyms | 1-methyl-5-(pyrrolidin-3-ylsulfanyl)-1H-1,2,3,4-tetrazole hydrochloride,
1820608-36-3,
MFCD26793085,
AKOS026677111,
F2167-0420,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.707g/mol |
| Monoisotopic Mass | 221.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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