| CAS Number | 925549-73-1 |
| Catalog Number | AG019PLV |
| Chemical Name | N-[3-(chloromethyl)-4-methyl-4,5-dihydro-1,2,4-thiadiazol-5-ylidene]-N'-phenylbenzenecarboximidamide |
| IUPAC Name | N-[3-(chloromethyl)-4-methyl-1,2,4-thiadiazol-5-ylidene]-N'-phenylbenzenecarboximidamide |
| InChI | InChI=1S/C17H15ClN4S/c1-22-15(12-18)21-23-17(22)20-16(13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h2-11H,12H2,1H3 |
| InChI Key | OMAJUAIZNYQVBQ-UHFFFAOYSA-N |
| MDL Number | MFCD26143672 |
| Molecular Formula | C17H15ClN4S |
| Molecular Weight | 342.8458 |
| SMILES | CN1C(=NC(C2=CC=CC=C2)=NC2=CC=CC=C2)SN=C1CCl |
| Synonyms | N-[3-(chloromethyl)-4-methyl-4,5-dihydro-1,2,4-thiadiazol-5-ylidene]-N'-phenylbenzenecarboximidamide,
925549-73-1,
N-[(5Z)-3-(chloromethyl)-4-methyl-1,2,4-thiadiazol-5(4H)-ylidene]-N'-phenylbenzenecarboximidamide,
CTK6H7138,
CTK8G1422,
ZINC12504973,
AKOS030739553,
ZINC102268714,
NE32028,
EN300-24254,
(Z)-N-[3-(chloromethyl)-4-methyl-4,5-dihydro-1,2,4-thiadiazol-5-ylidene]-N'-phenylbenzene-1-carboximidamide,
AC1Q3XLF,
|
| Complexity | 491 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.070595g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.8g/mol |
| Monoisotopic Mass | 342.070595g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number