| CAS Number | 148580-41-0 |
| Catalog Number | AG00ABVS(AGN-PC-00UWZS) |
| Chemical Name | 1-(tetrahydrofuran-2-ylmethyl)-1H-tetrazole-5-thiol |
| IUPAC Name | 1-(oxolan-2-ylmethyl)-2H-tetrazole-5-thione |
| InChI | InChI=1S/C6H10N4OS/c12-6-7-8-9-10(6)4-5-2-1-3-11-5/h5H,1-4H2,(H,7,9,12) |
| InChI Key | SYOBWORJANEUTG-UHFFFAOYSA-N |
| MDL Number | MFCD07354364 |
| Molecular Formula | C6H10N4OS |
| Molecular Weight | 186.2348 |
| SMILES | SC1N(CC2OCCC2)N=NN=1 |
| Synonyms | 148580-41-0,
1-(tetrahydrofuran-2-ylmethyl)-1H-tetrazole-5-thiol,
1-(oxolan-2-ylmethyl)-1H-1,2,3,4-tetrazole-5-thiol,
AC1Q7GMP,
HMS1751K08,
AKOS009038701,
MCULE-9680043273,
NE24554,
EN300-15005,
J-503676,
Z114956104,
1-[(oxolan-2-yl)methyl]-1H-1,2,3,4-tetrazole-5-thiol,
1-(oxolan-2-ylmethyl)-2H-tetrazole-5-thione,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.233g/mol |
| Monoisotopic Mass | 186.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number