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272-67-3 molecular structure
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thieno[3,2-b]pyridine

ChemBase ID: 288501
Molecular Formular: C7H5NS
Molecular Mass: 135.1863
Monoisotopic Mass: 135.01427017
SMILES and InChIs

SMILES:
s1ccc2c1cccn2
Canonical SMILES:
c1cnc2c(c1)scc2
InChI:
InChI=1S/C7H5NS/c1-2-7-6(8-4-1)3-5-9-7/h1-5H
InChIKey:
DBDCNCCRPKTRSD-UHFFFAOYSA-N

Cite this record

CBID:288501 http://www.chembase.cn/molecule-288501.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thieno[3,2-b]pyridine
IUPAC Traditional name
thieno[3,2-b]pyridine
Synonyms
Thieno[3,2-b]pyridine
CAS Number
272-67-3
MDL Number
MFCD11110437
PubChem SID
180674032
PubChem CID
12210218

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD208321 Please log in.
Data Source Data ID
PubChem 12210218 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0141432  LogD (pH = 7.4) 2.0174067 
Log P 2.0174484  Molar Refractivity 36.8692 cm3
Polarizability 15.615736 Å3 Polar Surface Area 12.89 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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