Home Other Building Blocks 1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propan-1-amine dihydrochloride

1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propan-1-amine dihydrochloride

CAS No.:
1171352-71-8
Catalog Number:
AG019LGY
Molecular Formula:
C11H17Cl2N3S
Molecular Weight:
294.2438
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Product Description
Catalog Number:
AG019LGY
Chemical Name:
1-(1H-1,3-benzodiazol-2-yl)-3-(methylsulfanyl)propan-1-amine dihydrochloride
CAS Number:
1171352-71-8
Molecular Formula:
C11H17Cl2N3S
Molecular Weight:
294.2438
MDL Number:
MFCD07209706
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
SMILES:
CSCCC(c1nc2c([nH]1)cccc2)N.Cl.Cl
Properties
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
Properties