| CAS Number | 50739-36-1 |
| Catalog Number | AG00DO38(AGN-PC-0S8XAZ) |
| Chemical Name | (6-Chlorobenzo[d]thiazol-2-yl)methanamine |
| IUPAC Name | (6-chloro-1,3-benzothiazol-2-yl)methanamine |
| InChI | InChI=1S/C8H7ClN2S/c9-5-1-2-6-7(3-5)12-8(4-10)11-6/h1-3H,4,10H2 |
| InChI Key | GETSSVISJIEXSV-UHFFFAOYSA-N |
| MDL Number | MFCD11902165 |
| Molecular Formula | C8H7ClN2S |
| Molecular Weight | 198.6726 |
| SMILES | NCC1SC2=C(C=CC(=C2)Cl)N=1 |
| Synonyms | 50739-36-1,
(6-chloro-1,3-benzothiazol-2-yl)methanamine,
(6-chloro-1,3-benzothiazol-2-yl)methylamine,
SCHEMBL3242364,
ZINC31894576,
AKOS017518294,
F8887-8111,
2-Benzothiazolemethanamine, 6-chloro- (9CI),
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.001847g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.67g/mol |
| Monoisotopic Mass | 198.001847g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number