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1346707-43-4 molecular structure
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4-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine

ChemBase ID: 796803
Molecular Formular: C12H9ClFNS
Molecular Mass: 253.7229632
Monoisotopic Mass: 253.01282619
SMILES and InChIs

SMILES:
n1c(cc(cc1)Cl)SCc1c(cccc1)F
Canonical SMILES:
Clc1ccnc(c1)SCc1ccccc1F
InChI:
InChI=1S/C12H9ClFNS/c13-10-5-6-15-12(7-10)16-8-9-3-1-2-4-11(9)14/h1-7H,8H2
InChIKey:
SFGWFABWUYQWQA-UHFFFAOYSA-N

Cite this record

CBID:796803 http://www.chembase.cn/molecule-796803.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine
IUPAC Traditional name
4-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyridine
Synonyms
4-Chloro-2-((2-fluorobenzyl)thio)pyridine
CAS Number
1346707-43-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4402 external link Add to cart
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) 4.3453984  LogD (pH = 7.4) 4.345686 
Log P 4.34569  Molar Refractivity 66.6565 cm3
Polarizability 25.45871 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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