| CAS Number | 21344-92-3 |
| Catalog Number | AG019EWE(AGN-PC-0WG4BK) |
| Chemical Name | n-Allyl-4-(2-chlorophenyl)thiazol-2-amine |
| IUPAC Name | 4-(2-chlorophenyl)-N-prop-2-enyl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C12H11ClN2S/c1-2-7-14-12-15-11(8-16-12)9-5-3-4-6-10(9)13/h2-6,8H,1,7H2,(H,14,15) |
| InChI Key | CDNYQOKYDIDXDB-UHFFFAOYSA-N |
| MDL Number | MFCD09370409 |
| Molecular Formula | C12H11ClN2S |
| Molecular Weight | 250.7471 |
| SMILES | Clc1ccccc1-c1csc(=NCC=C)[nH]1 |
| Synonyms | n-allyl-4-(2-chlorophenyl)thiazol-2-amine,
21344-92-3,
SCHEMBL37686,
MFCD09370409,
ZINC14185809,
AKOS027430175,
MCULE-5596998594,
CS-0037521,
Z48852848,
4-(2-chlorophenyl)-N-(prop-2-en-1-yl)-1,3-thiazol-2-amine,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.744g/mol |
| Monoisotopic Mass | 250.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number