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1020719-50-9 | Methanesulfonothioic acid, S-(2-hydroxyethyl-1,1,2,2-d4) ester
CAS No: 1020719-50-9 Catalog No: AG0006JD MDL No:
Product Description
Catalog Number:
AG0006JD
Chemical Name:
Methanesulfonothioic acid, S-(2-hydroxyethyl-1,1,2,2-d4) ester
CAS Number:
1020719-50-9
Molecular Formula:
C3H4D4O3S2
Molecular Weight:
160.2485
IUPAC Name:
1,1,2,2-tetradeuterio-2-methylsulfonylsulfanylethanol
InChI:
InChI=1S/C3H8O3S2/c1-8(5,6)7-3-2-4/h4H,2-3H2,1H3/i2D2,3D2
InChI Key:
AGPKHLPHPSLRED-RRVWJQJTSA-N
SMILES:
C([2H])(C(O)([2H])[2H])(SS(=O)(=O)C)[2H]
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.017g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
160.238g/mol
Monoisotopic Mass:
160.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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