Ethanethioic acid, potassium salt

CAS Number: 10387-40-3
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CC([S-])=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C2H3OS
Molecular Weight
75.1108
Drug-likeness
-2.2725
CAS
10387-40-3
InChI key
AFNBMGLGYSGFEZ-UHFFFAOYSA-M
SMILES
CC([S-])=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 10387-40-3
Molecule Name Ethanethioic acid, potassium salt
Molecular Formula K.C2H3OS
SMILES CC([S-])=O.[K+]
InChI InChI=1S/C2H4OS.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChI Key AFNBMGLGYSGFEZ-UHFFFAOYSA-M
CanonicalSyTyLFy bd56b573a8ca3ff2
TotalMolweight 114.209
Molecular Weight 75.1108
MonoisotopicMass 74.99046
CLogP 0.0103
CLogS -0.791
H Acceptors 1
TotalSurfaceArea 36.76
Relative PSA 0.35473
PolarSurfaceArea 17.07
Drug-likeness -2.2725
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.75
Fragments 2
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Sp3Atoms 2

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