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101798-65-6 molecular structure
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4-(phenylsulfanyl)piperidine

ChemBase ID: 812008
Molecular Formular: C11H15NS
Molecular Mass: 193.3085
Monoisotopic Mass: 193.09252049
SMILES and InChIs

SMILES:
C1(CCNCC1)Sc1ccccc1
Canonical SMILES:
N1CCC(CC1)Sc1ccccc1
InChI:
InChI=1S/C11H15NS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h1-5,11-12H,6-9H2
InChIKey:
CMFUYNUDGNDTGC-UHFFFAOYSA-N

Cite this record

CBID:812008 http://www.chembase.cn/molecule-812008.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(phenylsulfanyl)piperidine
IUPAC Traditional name
4-(phenylsulfanyl)piperidine
Synonyms
4-PHENYLSULFANYL-PIPERIDINE
CAS Number
101798-65-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31687 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31687 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) -1.18011  LogD (pH = 7.4) -0.46013743 
Log P 2.0376651  Molar Refractivity 59.0717 cm3
Polarizability 23.4168 Å3 Polar Surface Area 12.03 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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