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115063-93-9 molecular structure
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thieno[3,2-b]pyridin-6-ol

ChemBase ID: 287945
Molecular Formular: C7H5NOS
Molecular Mass: 151.1857
Monoisotopic Mass: 151.00918479
SMILES and InChIs

SMILES:
Oc1cnc2ccsc2c1
Canonical SMILES:
Oc1cnc2c(c1)scc2
InChI:
InChI=1S/C7H5NOS/c9-5-3-7-6(8-4-5)1-2-10-7/h1-4,9H
InChIKey:
ZVIDGVLPNKUNTL-UHFFFAOYSA-N

Cite this record

CBID:287945 http://www.chembase.cn/molecule-287945.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thieno[3,2-b]pyridin-6-ol
IUPAC Traditional name
thieno[3,2-b]pyridin-6-ol
Synonyms
Thieno[3,2-b]pyridin-6-ol
CAS Number
115063-93-9
PubChem SID
180673476
PubChem CID
20148567

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD163173 Please log in.
Data Source Data ID
PubChem 20148567 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.20039  H Acceptors
H Donor LogD (pH = 5.5) 1.711154 
LogD (pH = 7.4) 1.7071512  Log P 1.7138832 
Molar Refractivity 38.8501 cm3 Polarizability 16.20084 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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