Potassium tetradecyl sulfate

CAS Number: 13419-37-9
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CCCCCCCCCCCCCCOS([O-])(=O)=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C14H29O4S
Molecular Weight
293.446
Drug-likeness
-25.712
CAS
13419-37-9
InChI key
DQFWABVCOIFBPO-UHFFFAOYSA-M
SMILES
CCCCCCCCCCCCCCOS([O-])(=O)=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 13419-37-9
Molecule Name Potassium tetradecyl sulfate
Molecular Formula K.C14H29O4S
SMILES CCCCCCCCCCCCCCOS([O-])(=O)=O.[K+]
InChI InChI=1S/C14H30O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1
InChI Key DQFWABVCOIFBPO-UHFFFAOYSA-M
CanonicalSyTyLFy 9bc1021132ede60e
TotalMolweight 332.544
Molecular Weight 293.446
MonoisotopicMass 293.178655
CLogP 2.6409
CLogS -2.571
H Acceptors 4
TotalSurfaceArea 250.75
Relative PSA 0.21081
PolarSurfaceArea 74.81
Drug-likeness -25.712
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions alkyl sulfonate/sulfate type
Shape Index 0.89474
Molecula Flexibility 0.54589
Molecular Complexity 0.39608
Fragments 2
Non HAtoms 19
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 14
Sp3Atoms 17
Symmetricatoms 1
AcidicOxygens 1

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