| CAS Number | 1706440-01-8 |
| Catalog Number | AG01AS22(AGN-PC-0WCNOM) |
| Chemical Name | 2-chloro-4-(methylsulfanyl)-1,3-benzothiazole |
| IUPAC Name | 2-chloro-4-methylsulfanyl-1,3-benzothiazole |
| InChI | InChI=1S/C8H6ClNS2/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3 |
| InChI Key | DANGKSLAMORMIE-UHFFFAOYSA-N |
| MDL Number | MFCD26940469 |
| Molecular Formula | C8H6ClNS2 |
| Molecular Weight | 215.7229 |
| SMILES | CSC1=C2C(SC(=N2)Cl)=CC=C1 |
| Synonyms | 2-chloro-4-(methylthio)benzo[d]thiazole,
1706440-01-8,
SCHEMBL10448664,
ZINC96025081,
AKOS024627469,
MCULE-1295571302,
F2144-0005,
2-chloro-4-methylsulfanyl-1,3-benzothiazole,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.713g/mol |
| Monoisotopic Mass | 214.963g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number