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1346707-32-1 molecular structure
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4-chloro-2-(pentan-2-ylsulfanyl)pyridine

ChemBase ID: 795762
Molecular Formular: C10H14ClNS
Molecular Mass: 215.74286
Monoisotopic Mass: 215.05354813
SMILES and InChIs

SMILES:
n1c(cc(cc1)Cl)SC(C)CCC
Canonical SMILES:
CC(Sc1cc(Cl)ccn1)CCC
InChI:
InChI=1S/C10H14ClNS/c1-3-4-8(2)13-10-7-9(11)5-6-12-10/h5-8H,3-4H2,1-2H3
InChIKey:
AFAUXKCWFSPALZ-UHFFFAOYSA-N

Cite this record

CBID:795762 http://www.chembase.cn/molecule-795762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-(pentan-2-ylsulfanyl)pyridine
IUPAC Traditional name
4-chloro-2-(pentan-2-ylsulfanyl)pyridine
Synonyms
4-Chloro-2-(pentan-2-ylthio)pyridine
CAS Number
1346707-32-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O458 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polar Surface Area 12.89 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 4.1149054 
LogD (pH = 7.4) 4.115207  Log P 4.115211 
Molar Refractivity 60.1691 cm3 Polarizability 23.564125 Å3

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

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