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1346707-37-6 molecular structure
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4-chloro-2-(cyclopentylsulfanyl)pyridine

ChemBase ID: 796626
Molecular Formular: C10H12ClNS
Molecular Mass: 213.72698
Monoisotopic Mass: 213.03789807
SMILES and InChIs

SMILES:
n1c(cc(cc1)Cl)SC1CCCC1
Canonical SMILES:
Clc1ccnc(c1)SC1CCCC1
InChI:
InChI=1S/C10H12ClNS/c11-8-5-6-12-10(7-8)13-9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKey:
MTMYTUUMTNIBRF-UHFFFAOYSA-N

Cite this record

CBID:796626 http://www.chembase.cn/molecule-796626.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-(cyclopentylsulfanyl)pyridine
IUPAC Traditional name
4-chloro-2-(cyclopentylsulfanyl)pyridine
Synonyms
4-Chloro-2-(cyclopentylthio)pyridine
CAS Number
1346707-37-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O3661 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) 3.7291358  LogD (pH = 7.4) 3.729435 
Log P 3.7294388  Molar Refractivity 58.2899 cm3
Polarizability 22.836578 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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