| CAS Number | 40516-58-3 |
| Catalog Number | AG0076Y4(AGN-PC-0NKAO3) |
| Chemical Name | 4-(Chloromethyl)-2-propyl-1,3-thiazole |
| IUPAC Name | 4-(chloromethyl)-2-propyl-1,3-thiazole |
| InChI | InChI=1S/C7H10ClNS/c1-2-3-7-9-6(4-8)5-10-7/h5H,2-4H2,1H3 |
| InChI Key | PAZHFVKPFFPSEK-UHFFFAOYSA-N |
| MDL Number | MFCD09403609 |
| Molecular Formula | C7H10ClNS |
| Molecular Weight | 175.6790 |
| SMILES | CCCC1SC=C(CCl)N=1 |
| Synonyms | 4-(chloromethyl)-2-propyl-1,3-thiazole,
40516-58-3,
Thiazole,4-(chloromethyl)-2-propyl-,
AC1Q2V1H,
SCHEMBL11366303,
CTK4I3256,
DTXSID80509960,
ZINC12505706,
AKOS009130485,
MCULE-4906352902,
NE23227,
EN300-28272,
4-(Chloromethyl)-2-propylthiazole,
4- -2-PROPYL-1,3-THIAZOLE,
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| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.674g/mol |
| Monoisotopic Mass | 175.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number