| CAS Number | 1155998-38-1 |
| Catalog Number | AG019VI4(AGN-PC-0WO4XP) |
| Chemical Name | 5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine |
| IUPAC Name | 5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine |
| InChI | InChI=1S/C11H11ClN2S/c1-7-10(15-11(13)14-7)6-8-3-2-4-9(12)5-8/h2-5H,6H2,1H3,(H2,13,14) |
| InChI Key | PLWZUFNTMRYGMI-UHFFFAOYSA-N |
| MDL Number | MFCD12096064 |
| Molecular Formula | C11H11ClN2S |
| Molecular Weight | 238.7364 |
| SMILES | CC1=C(CC2=CC(Cl)=CC=C2)SC(N)=N1 |
| Synonyms | 5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine,
1155998-38-1,
AC1Q2F06,
CTK6H2534,
SBB084295,
ZINC35250907,
AKOS005217256,
NE50023,
EN300-45301,
Z374075854,
5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazole-2-ylamine,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.733g/mol |
| Monoisotopic Mass | 238.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number