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1346707-40-1 molecular structure
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4-chloro-2-[(cyclobutylmethyl)sulfanyl]pyridine

ChemBase ID: 797281
Molecular Formular: C10H12ClNS
Molecular Mass: 213.72698
Monoisotopic Mass: 213.03789807
SMILES and InChIs

SMILES:
n1c(cc(cc1)Cl)SCC1CCC1
Canonical SMILES:
Clc1ccnc(c1)SCC1CCC1
InChI:
InChI=1S/C10H12ClNS/c11-9-4-5-12-10(6-9)13-7-8-2-1-3-8/h4-6,8H,1-3,7H2
InChIKey:
SIRXRXQYDXAWND-UHFFFAOYSA-N

Cite this record

CBID:797281 http://www.chembase.cn/molecule-797281.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-[(cyclobutylmethyl)sulfanyl]pyridine
IUPAC Traditional name
4-chloro-2-[(cyclobutylmethyl)sulfanyl]pyridine
Synonyms
4-Chloro-2-((cyclobutylMethyl)thio)pyridine
CAS Number
1346707-40-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6653 external link Add to cart
Data Source Data ID Price
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AJA-O6653 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7033293  LogD (pH = 7.4) 3.7036564 
Log P 3.7036607  Molar Refractivity 58.3705 cm3
Polarizability 22.836079 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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