Thieno[2,3-d]pyridazine--hydrogen chloride (1/2)

CAS Number: 16364-00-4
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c1csc2c1cnnc2.Cl.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.HCl.C6H4N2S
Molecular Weight
136.178
Drug-likeness
-0.81206
CAS
16364-00-4
InChI key
GATMKRKFEONIRT-UHFFFAOYSA-N
SMILES
c1csc2c1cnnc2.Cl.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 16364-00-4
Molecule Name Thieno[2,3-d]pyridazine--hydrogen chloride (1/2)
Molecular Formula HCl.HCl.C6H4N2S
SMILES c1csc2c1cnnc2.Cl.Cl
InChI InChI=1S/C6H4N2S.2ClH/c1-2-9-6-4-8-7-3-5(1)6;;/h1-4H;2*1H
InChI Key GATMKRKFEONIRT-UHFFFAOYSA-N
CanonicalSyTyLFy 9b903a8b8b68d0b7
TotalMolweight 209.1
Molecular Weight 136.178
MonoisotopicMass 136.009518
CLogP 0.6688
CLogS -1.609
H Acceptors 2
TotalSurfaceArea 101.32
Relative PSA 0.41749
PolarSurfaceArea 54.02
Drug-likeness -0.81206
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecular Complexity 0.73778
Fragments 3
Non HAtoms 9
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Aromatic Nitrogens 2

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