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Cadusafos-d5

CAT: 1596-AR-C05705-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C05705-02Size:25 Units
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CAS Number
1215380-71-4
Molecular Formula
C10H18D5O2PS2
Molecular Weight
275.42
API Name
Cadusafos

Chemical Information

Cadusafos-d5
CAS Number1215380-71-4
PubChem CID46780147
IUPAC Name2-[butan-2-ylsulfanyl(1,1,2,2,2-pentadeuterioethoxy)phosphoryl]sulfanylbutane
Molecular FormulaC10H23O2PS2
Molecular Weight275.4
XLogP3.3
Topological Polar Surface Area76.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count15
Formal Charge0
Complexity196
SMILES
[2H]C([2H])([2H])C([2H])([2H])OP(=O)(SC(C)CC)SC(C)CC
InChI
InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3/i3D3,8D2
InChIKey
KXRPCFINVWWFHQ-GRZQFIOJSA-N
Chemical Structure
2D Structure
2D structure of Cadusafos-d5
CAS: 1215380-71-4
CID: 46780147
Formula: C10H23O2PS2
MW: 275.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight275.4
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass275.11909305
Monoisotopic Mass275.11909305
Topological Polar Surface Area76.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity196
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes