| CAS Number | 1094755-11-9 |
| Catalog Number | AG01A94U |
| Chemical Name | 1-cyclopropyl-5-methanesulfonyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 1-cyclopropyl-5-methylsulfonyltetrazole |
| InChI | InChI=1S/C5H8N4O2S/c1-12(10,11)5-6-7-8-9(5)4-2-3-4/h4H,2-3H2,1H3 |
| InChI Key | RVPOYAYBQNVHNI-UHFFFAOYSA-N |
| MDL Number | MFCD11212377 |
| Molecular Formula | C5H8N4O2S |
| Molecular Weight | 188.2076 |
| SMILES | CS(C1N(C2CC2)N=NN=1)(=O)=O |
| Synonyms | 1-cyclopropyl-5-methanesulfonyl-1H-1,2,3,4-tetrazole,
1094755-11-9,
AC1Q4GLA,
ZINC36947780,
AKOS009343712,
MCULE-7009605020,
NE26684,
EN300-64191,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.205g/mol |
| Monoisotopic Mass | 188.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 86.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number