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21314-77-2 molecular structure
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pyridin-3-yl(thiophen-2-yl)methanol

ChemBase ID: 306514
Molecular Formular: C10H9NOS
Molecular Mass: 191.24956
Monoisotopic Mass: 191.04048491
SMILES and InChIs

SMILES:
c1(sccc1)C(c1cnccc1)O
Canonical SMILES:
OC(c1cccs1)c1cccnc1
InChI:
InChI=1S/C10H9NOS/c12-10(9-4-2-6-13-9)8-3-1-5-11-7-8/h1-7,10,12H
InChIKey:
NCIAQCDWSORLTA-UHFFFAOYSA-N

Cite this record

CBID:306514 http://www.chembase.cn/molecule-306514.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridin-3-yl(thiophen-2-yl)methanol
IUPAC Traditional name
pyridin-3-yl(thiophen-2-yl)methanol
Synonyms
pyridin-3-yl(2-thienyl)methanol
CAS Number
21314-77-2
MDL Number
MFCD01108848

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6324267  LogD (pH = 7.4) 1.6846259 
Log P 1.6853452  Molar Refractivity 51.8897 cm3
Polarizability 20.12707 Å3 Polar Surface Area 33.12 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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