| CAS Number | 89180-95-0 |
| Catalog Number | AG00H4BP(AGN-PC-002GXP) |
| Chemical Name | 5-chloro-3-propyl-1,2,4-thiadiazole |
| IUPAC Name | 5-chloro-3-propyl-1,2,4-thiadiazole |
| InChI | InChI=1S/C5H7ClN2S/c1-2-3-4-7-5(6)9-8-4/h2-3H2,1H3 |
| InChI Key | NGNBDHJCQHROEK-UHFFFAOYSA-N |
| MDL Number | MFCD14707312 |
| Molecular Formula | C5H7ClN2S |
| Molecular Weight | 162.6405 |
| SMILES | CCCC1N=C(Cl)SN=1 |
| Synonyms | 5-Chloro-3-propyl-1,2,4-thiadiazole,
89180-95-0,
3-n-propyl-5-chloro-1,2,4-thiadiazole,
SCHEMBL4442483,
KS-00001KSG,
MFCD14707312,
ZINC34361494,
AKOS014320562,
FT-0729315,
|
| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.635g/mol |
| Monoisotopic Mass | 162.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number