| CAS Number | 391864-01-0 |
| Catalog Number | AG00C5ZB(AGN-PC-0WB4IG) |
| Chemical Name | 3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide |
| IUPAC Name | 3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide |
| InChI | InChI=1S/C7H10ClN3OS/c1-2-6-10-11-7(13-6)9-5(12)3-4-8/h2-4H2,1H3,(H,9,11,12) |
| InChI Key | CBIHUHXXBJILSQ-UHFFFAOYSA-N |
| MDL Number | MFCD01352024 |
| Molecular Formula | C7H10ClN3OS |
| Molecular Weight | 219.6918 |
| SMILES | C1(NC(=O)CCCl)=NN=C(CC)S1 |
| Synonyms | 3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide,
391864-01-0,
CHEMBRDG-BB 6197626,
AC1N7PCQ,
CTK4I1054,
DTXSID50401543,
ZINC5477472,
BBL025758,
MFCD01352024,
STL377872,
AKOS000103887,
MCULE-4698194453,
AJ-54161,
W-8221,
F0453-0272,
ZINC05477472,
CID4282884,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.687g/mol |
| Monoisotopic Mass | 219.023g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number