Methanaminium, iodide

CAS Number: 19348-30-2
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CN(C)C(SC)=[N+](C)C.[I-]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
I.C6H15N2S
Molecular Weight
147.265
Drug-likeness
-4.9513
CAS
19348-30-2
InChI key
JUHSKKCUWKCYFC-UHFFFAOYSA-M
SMILES
CN(C)C(SC)=[N+](C)C.[I-]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 19348-30-2
Molecule Name Methanaminium, iodide
Molecular Formula I.C6H15N2S
SMILES CN(C)C(SC)=[N+](C)C.[I-]
InChI InChI=1S/C6H15N2S.HI/c1-7(2)6(9-5)8(3)4;/h1-5H3;1H/q+1;/p-1
InChI Key JUHSKKCUWKCYFC-UHFFFAOYSA-M
CanonicalSyTyLFy 48360781e018bbe1
TotalMolweight 274.165
Molecular Weight 147.265
MonoisotopicMass 147.095593
CLogP -1.6505
CLogS -0.353
H Acceptors 2
TotalSurfaceArea 115.6
Relative PSA 0.13702
PolarSurfaceArea 31.55
Drug-likeness -4.9513
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions tert. immonium
Shape Index 0.55556
Molecula Flexibility 0.55229
Molecular Complexity 0.64124
Fragments 2
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 1
Sp3Atoms 6
Symmetricatoms 2

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