CHLOROSULFANIC ACID

CAS Number: 25404-06-2
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OS(Cl)=O
Molecule Information
Mutagenic: low Tumorigenic: none Irritant: none
Formula
HO2ClS
Molecular Weight
100.525
Drug-likeness
-9.43
CAS
25404-06-2
InChI key
NFORQHIBNSARMQ-UHFFFAOYSA-N
SMILES
OS(Cl)=O
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 25404-06-2
Molecule Name CHLOROSULFANIC ACID
Molecular Formula HO2ClS
SMILES OS(Cl)=O
InChI InChI=1S/ClH3O2S/c1-4(2)3/h4H2,(H,2,3)
InChI Key NFORQHIBNSARMQ-UHFFFAOYSA-N
CanonicalSyTyLFy fcb3016dd5df607c
TotalMolweight 100.525
Molecular Weight 100.525
MonoisotopicMass 99.938577
CLogP -1.8166
CLogS -0.579
H Acceptors 2
H Donors 1
TotalSurfaceArea 57.99
Relative PSA 0.61769
PolarSurfaceArea 56.51
Drug-likeness -9.43
Mutagenic low
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions acyl-halogenide type; Cl,Br,I on
Shape Index 0.75
Fragments 1
Non HAtoms 4
NonCHAtoms 4
Electronegative Atoms 4
StereoCenters 1
Sp3Atoms 2
StereoCon racemate

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