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1086382-46-8 molecular structure
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5-bromo-2-(propan-2-yl)-1,3-thiazole

ChemBase ID: 309362
Molecular Formular: C6H8BrNS
Molecular Mass: 206.10342
Monoisotopic Mass: 204.95608226
SMILES and InChIs

SMILES:
s1c(ncc1Br)C(C)C
Canonical SMILES:
CC(c1ncc(s1)Br)C
InChI:
InChI=1S/C6H8BrNS/c1-4(2)6-8-3-5(7)9-6/h3-4H,1-2H3
InChIKey:
HQGOGXRYNVVXBY-UHFFFAOYSA-N

Cite this record

CBID:309362 http://www.chembase.cn/molecule-309362.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-(propan-2-yl)-1,3-thiazole
IUPAC Traditional name
5-bromo-2-isopropyl-1,3-thiazole
Synonyms
5-bromo-2-isopropyl-1,3-thiazole
CAS Number
1086382-46-8
MDL Number
MFCD11223413

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) 2.9331317  LogD (pH = 7.4) 2.933371 
Log P 2.9333742  Molar Refractivity 41.6912 cm3
Polarizability 16.511562 Å3 Polar Surface Area 12.89 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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