| CAS Number | 1338218-71-5 |
| Catalog Number | AG00HT0P |
| Chemical Name | 5-Chloro-3-[(thien-2-yl)methyl]-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole |
| InChI | InChI=1S/C7H5ClN2S2/c8-7-9-6(10-12-7)4-5-2-1-3-11-5/h1-3H,4H2 |
| InChI Key | VHOCLEAGOMBKDR-UHFFFAOYSA-N |
| MDL Number | MFCD20257108 |
| Molecular Formula | C7H5ClN2S2 |
| Molecular Weight | 216.7110 |
| SMILES | Clc1snc(n1)Cc1cccs1 |
| Synonyms | 5-chloro-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole,
1338218-71-5,
5-Chloro-3-[(thien-2-yl)methyl]-1,2,4-thiadiazole,
MFCD20257108,
ZINC71787772,
AKOS014602016,
T6371,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.701g/mol |
| Monoisotopic Mass | 215.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number