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107818-20-2 molecular structure
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thieno[3,2-b]pyridin-7-ol

ChemBase ID: 68515
Molecular Formular: C7H5NOS
Molecular Mass: 151.1857
Monoisotopic Mass: 151.00918479
SMILES and InChIs

SMILES:
c12c(c(ccn1)O)scc2
Canonical SMILES:
Oc1ccnc2c1scc2
InChI:
InChI=1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)
InChIKey:
AACVULYSNJAKEQ-UHFFFAOYSA-N

Cite this record

CBID:68515 http://www.chembase.cn/molecule-68515.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thieno[3,2-b]pyridin-7-ol
IUPAC Traditional name
thieno[3,2-b]pyridin-7-ol
Synonyms
Thieno[3,2-b]pyridin-7-ol
Thieno[3,2-b]pyridin-7-ol
噻吩并[3,2-b]-吡啶-7-醇
噻吩并[3,2-b]吡啶-7-醇
CAS Number
107818-20-2
MDL Number
MFCD01863636
PubChem SID
24873182
162034246
PubChem CID
5074765

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.571411  H Acceptors
H Donor LogD (pH = 5.5) 1.7137003 
LogD (pH = 7.4) 1.7110229  Log P 1.7138832 
Molar Refractivity 38.8501 cm3 Polarizability 16.204212 Å3
Polar Surface Area 33.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
224 - 226°C expand Show data source
230-235 °C(lit.) expand Show data source
Hydrophobicity(logP)
-0.013 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
94% expand Show data source
95% expand Show data source
95+% expand Show data source
96% expand Show data source
Empirical Formula (Hill Notation)
C7H5NOS expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 498246 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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