| CAS Number | 1171038-67-7 |
| Catalog Number | AG019L6S |
| Chemical Name | 2-[(piperazin-1-yl)methyl]-1,3-benzothiazole dihydrochloride |
| IUPAC Name | 2-(piperazin-1-ylmethyl)-1,3-benzothiazole;dihydrochloride |
| InChI | InChI=1S/C12H15N3S.2ClH/c1-2-4-11-10(3-1)14-12(16-11)9-15-7-5-13-6-8-15;;/h1-4,13H,5-9H2;2*1H |
| InChI Key | SANHMEMTMIYEFM-UHFFFAOYSA-N |
| MDL Number | MFCD10599641 |
| Molecular Formula | C12H17Cl2N3S |
| Molecular Weight | 306.2545 |
| SMILES | Cl.Cl.C(C1SC2=C(C=CC=C2)N=1)N1CCNCC1 |
| Synonyms | 2-(piperazin-1-ylmethyl)-1,3-benzothiazole dihydrochloride,
1171038-67-7,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.249g/mol |
| Monoisotopic Mass | 305.052g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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