| CAS Number | 791594-81-5 |
| Catalog Number | AG00VRX7(AGN-PC-0WBQ4F) |
| Chemical Name | 2-Chloro-5,7-dimethyl-1,3-benzothiazole |
| IUPAC Name | 2-chloro-5,7-dimethyl-1,3-benzothiazole |
| InChI | InChI=1S/C9H8ClNS/c1-5-3-6(2)8-7(4-5)11-9(10)12-8/h3-4H,1-2H3 |
| InChI Key | UMPCQBBRKCVELL-UHFFFAOYSA-N |
| MDL Number | MFCD04971831 |
| Molecular Formula | C9H8ClNS |
| Molecular Weight | 197.6845 |
| SMILES | CC1=CC2=C(SC(=N2)Cl)C(C)=C1 |
| Synonyms | 2-chloro-5,7-dimethyl-1,3-benzothiazole,
791594-81-5,
AC1M1HAP,
SCHEMBL1747979,
DTXSID00365964,
ZINC2455719,
AKOS005208529,
2-chloro-5,7-dimethylbenzo[d]thiazole,
MCULE-4293010434,
L-4059,
AB00677675-01,
F1910-0028,
ZINC02455719,
CID2049880,
2-Chloro-5,7-dimethylbenzo[d]thiazole, 97% - 10MG 10mg,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.68g/mol |
| Monoisotopic Mass | 197.007g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number