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Amyl potassium xanthate

CAT: 0926-FA163871-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FA163871-01Size:5 g
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CAS Number
2720-73-2
Synonyms
Potassium, pentoxymethanedithioate
Smiles
CCCCCOC (=S) [S-].[K+]
Molecular Formula
C6H11KOS2
Molecular Weight
202.38 g/mol
Controlled
No

Chemical Information

Potassium pentylxanthate
CAS Number2720-73-2
PubChem CID493949
IUPAC Namepotassium pentoxymethanedithioate
Molecular FormulaC6H11KOS2
Molecular Weight202.4
Topological Polar Surface Area42.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
CCCCCOC(=S)[S-].[K+]
InChI
InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1
InChIKey
YIBBMDDEXKBIAM-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Potassium pentylxanthate
CAS: 2720-73-2
CID: 493949
Formula: C6H11KOS2
MW: 202.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass201.98883880
Monoisotopic Mass201.98883880
Topological Polar Surface Area42.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity87.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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