| CAS Number | 192817-66-6 |
| Catalog Number | AG00I2VL(AGN-PC-0NBX4F) |
| Chemical Name | 3-(4-chlorophenyl)-1,2,4-thiadiazol-5(4H)-one |
| IUPAC Name | 3-(4-chlorophenyl)-4H-1,2,4-thiadiazol-5-one |
| InChI | InChI=1S/C8H5ClN2OS/c9-6-3-1-5(2-4-6)7-10-8(12)13-11-7/h1-4H,(H,10,11,12) |
| InChI Key | BDQUENNINFPTSH-UHFFFAOYSA-N |
| MDL Number | MFCD14585308 |
| Molecular Formula | C8H5ClN2OS |
| Molecular Weight | 212.6561 |
| SMILES | Clc1ccc(cc1)c1nsc(=O)[nH]1 |
| Synonyms | 3-(4-chlorophenyl)-1,2,4-thiadiazol-5(4H)-one,
192817-66-6,
SCHEMBL8890874,
KM4578,
ZINC34541907,
FCH1385198,
BP-11674,
OR322830,
Y2394,
C8H5ClN2OS,
CID10867612,
3-(4-chlorophenyl)-2H-1,2,4-thiadiazol-5-one,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.651g/mol |
| Monoisotopic Mass | 211.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number