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27685-92-3 molecular structure
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thieno[3,2-c]pyridin-4-ol

ChemBase ID: 293584
Molecular Formular: C7H5NOS
Molecular Mass: 151.1857
Monoisotopic Mass: 151.00918479
SMILES and InChIs

SMILES:
Oc1nccc2c1ccs2
Canonical SMILES:
Oc1nccc2c1ccs2
InChI:
InChI=1S/C7H5NOS/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKey:
DUPNPBCUJHMSFZ-UHFFFAOYSA-N

Cite this record

CBID:293584 http://www.chembase.cn/molecule-293584.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thieno[3,2-c]pyridin-4-ol
IUPAC Traditional name
thieno[3,2-c]pyridin-4-ol
Synonyms
Thieno[3,2-c]pyridin-4-ol
CAS Number
27685-92-3
MDL Number
MFCD00673989
PubChem SID
180679115
PubChem CID
288525

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD33004 Please log in.
Data Source Data ID
PubChem 288525 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9224541  LogD (pH = 7.4) 1.9224513 
Log P 1.9224904  Molar Refractivity 39.5356 cm3
Polarizability 16.211042 Å3 Polar Surface Area 33.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 11.445584 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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