| CAS Number | 1255717-62-4 |
| Catalog Number | AG00J1CL(AGN-PC-0WB6VP) |
| Chemical Name | 2-((1H-1,2,4-Triazol-5-yl)thio)ethanamine dihydrochloride |
| IUPAC Name | 2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C4H8N4S.2ClH/c5-1-2-9-4-6-3-7-8-4;;/h3H,1-2,5H2,(H,6,7,8);2*1H |
| InChI Key | WUJXDXIKLVNPSI-UHFFFAOYSA-N |
| MDL Number | MFCD13193935 |
| Molecular Formula | C4H10Cl2N4S |
| Molecular Weight | 217.1200 |
| SMILES | N1C=NNC=1SCCN.Cl.Cl |
| Synonyms | 1255717-62-4,
[2-(1H-1,2,4-Triazol-5-ylthio)ethyl]amine dihydrochloride,
ZX-CM003892,
MFCD13193935,
AKOS027426211,
2-(1H-1,2,4-Triazol-5-ylthio)ethanamine dihydrochloride,
2-((1H-1,2,4-Triazol-5-yl)thio)ethanamine dihydrochloride,
2-(1H-1,2,4-Triazol-5-ylthio)ethanamine dihydrochloride, AldrichCPR,
|
| Complexity | 79 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.112g/mol |
| Monoisotopic Mass | 216g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number