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475059-74-6 molecular structure
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(4-tert-butyl-1,3-thiazol-2-yl)methanol

ChemBase ID: 308768
Molecular Formular: C8H13NOS
Molecular Mass: 171.25992
Monoisotopic Mass: 171.07178504
SMILES and InChIs

SMILES:
n1c(csc1CO)C(C)(C)C
Canonical SMILES:
OCc1scc(n1)C(C)(C)C
InChI:
InChI=1S/C8H13NOS/c1-8(2,3)6-5-11-7(4-10)9-6/h5,10H,4H2,1-3H3
InChIKey:
OQMKVPYMYZSPCO-UHFFFAOYSA-N

Cite this record

CBID:308768 http://www.chembase.cn/molecule-308768.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-tert-butyl-1,3-thiazol-2-yl)methanol
IUPAC Traditional name
(4-tert-butyl-1,3-thiazol-2-yl)methanol
Synonyms
(4-tert-butyl-1,3-thiazol-2-yl)methanol
CAS Number
475059-74-6
MDL Number
MFCD12827486

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8687116  LogD (pH = 7.4) 1.8687611 
Log P 1.8687619  Molar Refractivity 45.7032 cm3
Polarizability 17.859064 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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