Cysteamine hydrochloride

CAS Number: 156-57-0
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NCCS.Cl
Molecule Information
Mutagenic: high Tumorigenic: none Irritant: none
Formula
HCl.C2H7NS
Molecular Weight
77.1506
Drug-likeness
-6.1884
CAS
156-57-0
InChI key
OGMADIBCHLQMIP-UHFFFAOYSA-N
SMILES
NCCS.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 156-57-0
Molecule Name Cysteamine hydrochloride
Molecular Formula HCl.C2H7NS
SMILES NCCS.Cl
InChI InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H
InChI Key OGMADIBCHLQMIP-UHFFFAOYSA-N
CanonicalSyTyLFy 41bb510646cf6cba
TotalMolweight 113.612
Molecular Weight 77.1506
MonoisotopicMass 77.029919
CLogP -0.4145
CLogS -1.21
H Acceptors 1
H Donors 1
TotalSurfaceArea 65.4
Relative PSA 0.5792
PolarSurfaceArea 64.82
Drug-likeness -6.1884
Mutagenic high
Tumorigenic none
Reproductive Effective high
Irritant none
Shape Index 1
Molecula Flexibility 0.66089
Fragments 2
Non HAtoms 4
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1

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