| CAS Number | 1354961-32-2 |
| Catalog Number | AG018RU2(AGN-PC-0WO319) |
| Chemical Name | 1-(3-Methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane |
| IUPAC Name | 5-(1,4-diazepan-1-yl)-3-methyl-1,2,4-thiadiazole |
| InChI | InChI=1S/C8H14N4S/c1-7-10-8(13-11-7)12-5-2-3-9-4-6-12/h9H,2-6H2,1H3 |
| InChI Key | MZKLTZIEMSVRMI-UHFFFAOYSA-N |
| MDL Number | MFCD20502069 |
| Molecular Formula | C8H14N4S |
| Molecular Weight | 198.2886 |
| SMILES | CC1=NSC(N2CCNCCC2)=N1 |
| Synonyms | 1-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane,
1354961-32-2,
ZINC71790410,
AKOS014367828,
MCULE-1684624315,
NE25208,
EN300-93494,
F8880-5270,
Z1578665941,
K1P,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.288g/mol |
| Monoisotopic Mass | 198.094g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number