Home Aminos 3-[(pyridin-3-ylmethyl)amino]-1lambda6-thiolane-1,1-dione dihydrochloride

3-[(pyridin-3-ylmethyl)amino]-1lambda6-thiolane-1,1-dione dihydrochloride

CAS No.:
1172845-35-0
Catalog Number:
AG019M4W
Molecular Formula:
C10H16Cl2N2O2S
Molecular Weight:
299.2172
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Product Description
Catalog Number:
AG019M4W
Chemical Name:
3-[(pyridin-3-ylmethyl)amino]-1lambda6-thiolane-1,1-dione dihydrochloride
CAS Number:
1172845-35-0
Molecular Formula:
C10H16Cl2N2O2S
Molecular Weight:
299.2172
MDL Number:
MFCD06681165
IUPAC Name:
1,1-dioxo-N-(pyridin-3-ylmethyl)thiolan-3-amine;dihydrochloride
InChI:
InChI=1S/C10H14N2O2S.2ClH/c13-15(14)5-3-10(8-15)12-7-9-2-1-4-11-6-9;;/h1-2,4,6,10,12H,3,5,7-8H2;2*1H
InChI Key:
WGVATNRSCNWYPA-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC(C1)NCc1cccnc1.Cl.Cl
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.031g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
299.21g/mol
Monoisotopic Mass:
298.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties