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1020719-63-4 | Propanethioamide-3,3,3-d3, 2-(methyl-d3)-
CAS No: 1020719-63-4 Catalog No: AG0006KE MDL No:
Product Description
Catalog Number:
AG0006KE
Chemical Name:
Propanethioamide-3,3,3-d3, 2-(methyl-d3)-
CAS Number:
1020719-63-4
Molecular Formula:
C4H3D6NS
Molecular Weight:
109.2229
IUPAC Name:
3,3,3-trideuterio-2-(trideuteriomethyl)propanethioamide
InChI:
InChI=1S/C4H9NS/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)/i1D3,2D3
InChI Key:
NPCLRBQYESMUPD-WFGJKAKNSA-N
SMILES:
C([2H])(C(C([2H])([2H])[2H])C(=S)N)([2H])[2H]
Properties
Complexity:
58.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.083g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
6
Molecular Weight:
109.22g/mol
Monoisotopic Mass:
109.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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