Chlorosulfuric acid

CAS Number: 7790-94-5
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OS(Cl)(=O)=O
Molecule Information
Mutagenic: low Tumorigenic: none Irritant: low
Formula
HO3ClS
Molecular Weight
116.524
Drug-likeness
-13.203
CAS
7790-94-5
InChI key
XTHPWXDJESJLNJ-UHFFFAOYSA-N
SMILES
OS(Cl)(=O)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
none
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 7790-94-5
Molecule Name Chlorosulfuric acid
Molecular Formula HO3ClS
SMILES OS(Cl)(=O)=O
InChI InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)
InChI Key XTHPWXDJESJLNJ-UHFFFAOYSA-N
CanonicalSyTyLFy 11d19abd6315b867
TotalMolweight 116.524
Molecular Weight 116.524
MonoisotopicMass 115.933492
CLogP -2.3424
CLogS -0.841
H Acceptors 3
H Donors 1
TotalSurfaceArea 63.85
Relative PSA 0.65278
PolarSurfaceArea 62.75
Drug-likeness -13.203
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant low
Nasty Functions acyl-halogenide type; Cl,Br,I on
Shape Index 0.6
Molecular Complexity 0.80472
Fragments 1
Non HAtoms 5
NonCHAtoms 5
Electronegative Atoms 5
Sp3Atoms 2
Symmetricatoms 1
AcidicOxygens 1

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