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203303-04-2 molecular structure
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2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-ol

ChemBase ID: 312374
Molecular Formular: C9H11FOS
Molecular Mass: 186.2464432
Monoisotopic Mass: 186.05146419
SMILES and InChIs

SMILES:
c1(F)ccc(cc1)CSCCO
Canonical SMILES:
OCCSCc1ccc(cc1)F
InChI:
InChI=1S/C9H11FOS/c10-9-3-1-8(2-4-9)7-12-6-5-11/h1-4,11H,5-7H2
InChIKey:
ZPOGPEPCFFSJEK-UHFFFAOYSA-N

Cite this record

CBID:312374 http://www.chembase.cn/molecule-312374.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(4-fluorophenyl)methyl]sulfanyl}ethan-1-ol
IUPAC Traditional name
2-{[(4-fluorophenyl)methyl]sulfanyl}ethanol
Synonyms
2-[(4-fluorobenzyl)thio]ethanol
CAS Number
203303-04-2
MDL Number
MFCD00040913

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) 2.0371892  LogD (pH = 7.4) 2.0371892 
Log P 2.0371892  Molar Refractivity 50.2654 cm3
Polarizability 19.193785 Å3 Polar Surface Area 20.23 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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