| CAS Number | 941869-94-9 |
| Catalog Number | AG01ARBW(AGN-PC-0WCNUV) |
| Chemical Name | 7-chloro-4-methyl-2-(piperazin-1-yl)-1,3-benzothiazole |
| IUPAC Name | 7-chloro-4-methyl-2-piperazin-1-yl-1,3-benzothiazole |
| InChI | InChI=1S/C12H14ClN3S/c1-8-2-3-9(13)11-10(8)15-12(17-11)16-6-4-14-5-7-16/h2-3,14H,4-7H2,1H3 |
| InChI Key | HZWVLFMXHKIWDI-UHFFFAOYSA-N |
| MDL Number | MFCD09743167 |
| Molecular Formula | C12H14ClN3S |
| Molecular Weight | 267.7777 |
| SMILES | CC1=C2C(SC(N3CCNCC3)=N2)=C(Cl)C=C1 |
| Synonyms | 7-Chloro-4-methyl-2-piperazin-1-yl-1,3-benzothiazole,
941869-94-9,
ZINC11919937,
AKOS005207555,
MCULE-9506708573,
L-3792,
F2146-0093,
7-chloro-4-methyl-2-(piperazin-1-yl)-1,3-benzothiazole,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.775g/mol |
| Monoisotopic Mass | 267.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number