| CAS Number | 1006432-73-0 |
| Catalog Number | AG008TZJ |
| Chemical Name | Potassium 4-(3-morpholinopropyl)-5-((2-oxopyrrolidin-1-yl)methyl)-4H-1,2,4-triazole-3-thiolate |
| IUPAC Name | potassium;4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thiolate |
| InChI | InChI=1S/C14H23N5O2S.K/c20-13-3-1-5-18(13)11-12-15-16-14(22)19(12)6-2-4-17-7-9-21-10-8-17;/h1-11H2,(H,16,22);/q;+1/p-1 |
| InChI Key | NLWNDUNWNHSGEA-UHFFFAOYSA-M |
| MDL Number | MFCD06674582 |
| Molecular Formula | C14H22KN5O2S |
| Molecular Weight | 363.5201 |
| SMILES | [S-]C1=NN=C(CN2C(CCC2)=O)N1CCCN3CCOCC3.[K+] |
| Synonyms | potassium 4-(3-morpholin-4-ylpropyl)-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazole-3-thiolate,
1006432-73-0,
potassium {4-[3-(morpholin-4-yl)propyl]-5-[(2-oxopyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanide,
Potassium 4-(3-morpholinopropyl)-5-((2-oxopyrrolidin-1-yl)methyl)-4H-1,2,4-triazole-3-thiolate,
AC1Q1TZN,
CTK7H4136,
AKOS027427042,
NE13420,
EN300-12370,
J-524008,
Z85957267,
|
| Complexity | 386 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 363.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 363.521g/mol |
| Monoisotopic Mass | 363.113g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number