Thieno[2,3-b]pyridin-2-amine--hydrogen chloride (1/1)

CAS Number: 1057326-75-6
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Nc1cc2cccnc2s1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C7H6N2S
Molecular Weight
150.205
Drug-likeness
-0.83417
CAS
1057326-75-6
InChI key
SDVDTCKJDSSWPR-UHFFFAOYSA-N
SMILES
Nc1cc2cccnc2s1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1057326-75-6
Molecule Name Thieno[2,3-b]pyridin-2-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C7H6N2S
SMILES Nc1cc2cccnc2s1.Cl
InChI InChI=1S/C7H6N2S.ClH/c8-6-4-5-2-1-3-9-7(5)10-6;/h1-4H,8H2;1H
InChI Key SDVDTCKJDSSWPR-UHFFFAOYSA-N
CanonicalSyTyLFy 124401efffd7607c
TotalMolweight 186.666
Molecular Weight 150.205
MonoisotopicMass 150.025168
CLogP 1.2064
CLogS -3.013
H Acceptors 2
H Donors 1
TotalSurfaceArea 111.08
Relative PSA 0.41952
PolarSurfaceArea 67.15
Drug-likeness -0.83417
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.6
Molecular Complexity 0.79406
Fragments 2
Non HAtoms 10
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Aromatic Nitrogens 1

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