Thieno(3,4-c)pyridin-7-ol, 6-methyl-, hydrochloride

CAS Number: 73908-94-8
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Cc(ncc1cscc11)c1O.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C8H7NOS
Molecular Weight
165.216
Drug-likeness
1.5708
CAS
73908-94-8
InChI key
ICGDEOJLDVQVBN-UHFFFAOYSA-N
SMILES
Cc(ncc1cscc11)c1O.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 73908-94-8
Molecule Name Thieno(3,4-c)pyridin-7-ol, 6-methyl-, hydrochloride
Molecular Formula HCl.C8H7NOS
SMILES Cc(ncc1cscc11)c1O.Cl
InChI InChI=1S/C8H7NOS.ClH/c1-5-8(10)7-4-11-3-6(7)2-9-5;/h2-4,10H,1H3;1H
InChI Key ICGDEOJLDVQVBN-UHFFFAOYSA-N
CanonicalSyTyLFy 9b818bb18cbb0de0
TotalMolweight 201.677
Molecular Weight 165.216
MonoisotopicMass 165.024834
CLogP 1.6897
CLogS -2.399
H Acceptors 2
H Donors 1
TotalSurfaceArea 121.17
Relative PSA 0.36667
PolarSurfaceArea 61.36
Drug-likeness 1.5708
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.54545
Molecular Complexity 0.76585
Fragments 2
Non HAtoms 11
NonCHAtoms 3
Electronegative Atoms 3
Rings Closures 2
Small Rings 2
Aromatic Rings 2
Aromatic Atoms 9
Sp3Atoms 2
Aromatic Nitrogens 1

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