Sulfurochloridic acid--pyridine (1/1)

CAS Number: 14206-10-1
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OS(Cl)(=O)=O.c1ccncc1
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
HO3ClS.C5H5N
Molecular Weight
79.1017
Drug-likeness
-4.0347
CAS
14206-10-1
InChI key
UFWWAKOWSBGGCP-UHFFFAOYSA-N
SMILES
OS(Cl)(=O)=O.c1ccncc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 14206-10-1
Molecule Name Sulfurochloridic acid--pyridine (1/1)
Molecular Formula HO3ClS.C5H5N
SMILES OS(Cl)(=O)=O.c1ccncc1
InChI InChI=1S/C5H5N.ClHO3S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-5H;(H,2,3,4)
InChI Key UFWWAKOWSBGGCP-UHFFFAOYSA-N
CanonicalSyTyLFy d6ec9a46ee03662e
TotalMolweight 195.626
Molecular Weight 79.1017
MonoisotopicMass 79.042199
CLogP 0.6587
CLogS -0.821
H Acceptors 1
TotalSurfaceArea 72.02
Relative PSA 0.15232
PolarSurfaceArea 12.89
Drug-likeness -4.0347
Mutagenic high
Tumorigenic high
Reproductive Effective none
Irritant high
Shape Index 0.66667
Molecular Complexity 0.53648
Fragments 2
Non HAtoms 6
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Symmetricatoms 2
Aromatic Nitrogens 1

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