| CAS Number | 1171352-71-8 |
| Catalog Number | AG019LGY |
| Chemical Name | 1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propan-1-amine dihydrochloride |
| IUPAC Name | 1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride |
| InChI | InChI=1S/C11H15N3S.2ClH/c1-15-7-6-8(12)11-13-9-4-2-3-5-10(9)14-11;;/h2-5,8H,6-7,12H2,1H3,(H,13,14);2*1H |
| InChI Key | TWOXOTKMALMLKP-UHFFFAOYSA-N |
| MDL Number | MFCD07209706 |
| Molecular Formula | C11H17Cl2N3S |
| Molecular Weight | 294.2438 |
| SMILES | Cl.Cl.CSCCC(C1NC2=C(C=CC=C2)N=1)N |
| Synonyms | 1171352-71-8,
1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propan-1-amine dihydrochloride,
1-(1H-benzimidazol-2-yl)-3-(methylthio)propan-1-amine dihydrochloride,
1-(1H-benzo[d]imidazol-2-yl)-3-(methylthio)propan-1-amine dihydrochloride,
(1S)-1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propan-1-amine dihydrochloride,
AC1Q3AL3,
CTK7B5845,
MFCD07209706,
AKOS005170699,
ST45174696,
EN300-31229,
[1-(1H-Benzimidazol-2-yl)-3-(methylthio)propyl]amine dihydrochloride,
1327027-34-8,
327072-88-8,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.238g/mol |
| Monoisotopic Mass | 293.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number