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728885-92-5 molecular structure
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3-bromo-6-ethyl-5-methyl-[1,2]thiazolo[5,4-b]pyridine

ChemBase ID: 312530
Molecular Formular: C9H9BrN2S
Molecular Mass: 257.15016
Monoisotopic Mass: 255.9669813
SMILES and InChIs

SMILES:
c12c(nc(c(c2)C)CC)snc1Br
Canonical SMILES:
Cc1cc2c(Br)nsc2nc1CC
InChI:
InChI=1S/C9H9BrN2S/c1-3-7-5(2)4-6-8(10)12-13-9(6)11-7/h4H,3H2,1-2H3
InChIKey:
LCAOSAKZHGENGR-UHFFFAOYSA-N

Cite this record

CBID:312530 http://www.chembase.cn/molecule-312530.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-6-ethyl-5-methyl-[1,2]thiazolo[5,4-b]pyridine
IUPAC Traditional name
3-bromo-6-ethyl-5-methyl-[1,2]thiazolo[5,4-b]pyridine
Synonyms
3-bromo-6-ethyl-5-methylisothiazolo[5,4-b]pyridine
CAS Number
728885-92-5
MDL Number
MFCD00854740

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.507833  LogD (pH = 7.4) 3.5078337 
Log P 3.5078337  Molar Refractivity 58.7536 cm3
Polarizability 22.330713 Å3 Polar Surface Area 25.78 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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