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1123169-48-1 molecular structure
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(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanol

ChemBase ID: 308690
Molecular Formular: C7H11NOS
Molecular Mass: 157.23334
Monoisotopic Mass: 157.05613498
SMILES and InChIs

SMILES:
n1c(c(sc1C)CO)CC
Canonical SMILES:
CCc1nc(sc1CO)C
InChI:
InChI=1S/C7H11NOS/c1-3-6-7(4-9)10-5(2)8-6/h9H,3-4H2,1-2H3
InChIKey:
JWIJUMYLYNATEZ-UHFFFAOYSA-N

Cite this record

CBID:308690 http://www.chembase.cn/molecule-308690.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanol
IUPAC Traditional name
(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanol
Synonyms
(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanol
CAS Number
1123169-48-1
MDL Number
MFCD12198465

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) 0.9510559  LogD (pH = 7.4) 0.9520858 
Log P 0.952099  Molar Refractivity 41.5255 cm3
Polarizability 15.946449 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

INTERNET

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