Iodo(oxo)sulfanylphosphanium

CAS Number: 141850-74-0
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O=[P+](S)I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HOIPS
Molecular Weight
206.947
Drug-likeness
-5.0909
CAS
141850-74-0
InChI key
DVBIMIWNBDLTLW-UHFFFAOYSA-N
SMILES
O=[P+](S)I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 141850-74-0
Molecule Name Iodo(oxo)sulfanylphosphanium
Molecular Formula HOIPS
SMILES O=[P+](S)I
InChI InChI=1S/H2IOPS/c1-3(2)4/h3H,(H,2,4)/q+1
InChI Key DVBIMIWNBDLTLW-UHFFFAOYSA-N
CanonicalSyTyLFy cbaa6fdcab1f407d
TotalMolweight 206.947
Molecular Weight 206.947
MonoisotopicMass 206.853045
CLogP -1.9083
CLogS 4.19
H Acceptors 1
TotalSurfaceArea 68.68
Relative PSA 0.51907
PolarSurfaceArea 55.87
Drug-likeness -5.0909
Mutagenic none
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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