Potassium decylxanthate

CAS Number: 7308-25-0
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CCCCCCCCCCOC([S-])=S.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C11H21OS2
Molecular Weight
233.419
Drug-likeness
-23.05
CAS
7308-25-0
InChI key
ROKMMAWTMJKDKE-UHFFFAOYSA-M
SMILES
CCCCCCCCCCOC([S-])=S.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 7308-25-0
Molecule Name Potassium decylxanthate
Molecular Formula K.C11H21OS2
SMILES CCCCCCCCCCOC([S-])=S.[K+]
InChI InChI=1S/C11H22OS2.K/c1-2-3-4-5-6-7-8-9-10-12-11(13)14;/h2-10H2,1H3,(H,13,14);/q;+1/p-1
InChI Key ROKMMAWTMJKDKE-UHFFFAOYSA-M
CanonicalSyTyLFy 360f981b1e4dcdf1
TotalMolweight 272.517
Molecular Weight 233.419
MonoisotopicMass 233.10338
CLogP 5.0477
CLogS -4.488
H Acceptors 1
TotalSurfaceArea 185.56
Relative PSA 0.20479
PolarSurfaceArea 41.32
Drug-likeness -23.05
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.92857
Molecula Flexibility 0.57069
Molecular Complexity 0.3662
Fragments 2
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 10
Sp3Atoms 13

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