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1086382-44-6 molecular structure
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5-bromo-2-ethyl-1,3-thiazole

ChemBase ID: 309415
Molecular Formular: C5H6BrNS
Molecular Mass: 192.07684
Monoisotopic Mass: 190.9404322
SMILES and InChIs

SMILES:
s1c(cnc1CC)Br
Canonical SMILES:
CCc1ncc(s1)Br
InChI:
InChI=1S/C5H6BrNS/c1-2-5-7-3-4(6)8-5/h3H,2H2,1H3
InChIKey:
PMLOCJDQVWVTPZ-UHFFFAOYSA-N

Cite this record

CBID:309415 http://www.chembase.cn/molecule-309415.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-ethyl-1,3-thiazole
IUPAC Traditional name
5-bromo-2-ethyl-1,3-thiazole
Synonyms
5-bromo-2-ethyl-1,3-thiazole
CAS Number
1086382-44-6
MDL Number
MFCD11223412

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) 2.3900774  LogD (pH = 7.4) 2.390384 
Log P 2.3903878  Molar Refractivity 37.1167 cm3
Polarizability 14.717441 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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