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836682-32-7 | D,L-Sulforaphane-d8
CAS No: 836682-32-7 Catalog No: AG0056GR MDL No:
Product Description
Catalog Number:
AG0056GR
Chemical Name:
D,L-Sulforaphane-d8
CAS Number:
836682-32-7
Molecular Formula:
C6H3D8NOS2
Molecular Weight:
185.3369
IUPAC Name:
1,1,2,2,3,3,4,4-octadeuterio-1-isothiocyanato-4-methylsulfinylbutane
InChI:
InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/i2D2,3D2,4D2,5D2
InChI Key:
SUVMJBTUFCVSAD-UDCOFZOWSA-N
SMILES:
S=C=NC(C(C(C(S(=O)C)([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H]
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.078g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
8
Molecular Weight:
185.329g/mol
Monoisotopic Mass:
185.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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