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161609-97-8 molecular structure
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4-[4-(methylsulfanyl)phenyl]piperidine

ChemBase ID: 812019
Molecular Formular: C12H17NS
Molecular Mass: 207.33508
Monoisotopic Mass: 207.10817055
SMILES and InChIs

SMILES:
C1(CCNCC1)c1ccc(cc1)SC
Canonical SMILES:
CSc1ccc(cc1)C1CCNCC1
InChI:
InChI=1S/C12H17NS/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-5,11,13H,6-9H2,1H3
InChIKey:
SLYJXLIXZJYJBD-UHFFFAOYSA-N

Cite this record

CBID:812019 http://www.chembase.cn/molecule-812019.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[4-(methylsulfanyl)phenyl]piperidine
IUPAC Traditional name
4-[4-(methylsulfanyl)phenyl]piperidine
Synonyms
4-(4-METHYLSULFANYL-PHENYL)-PIPERIDINE
CAS Number
161609-97-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31704 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31704 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 64.2379 cm3 Polarizability 25.178833 Å3
Polar Surface Area 12.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -0.51542467 
LogD (pH = 7.4) 0.14109021  Log P 2.706528 

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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