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56764-71-7 molecular structure
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1-[2-(methylsulfanyl)ethyl]piperazine

ChemBase ID: 309442
Molecular Formular: C7H16N2S
Molecular Mass: 160.28034
Monoisotopic Mass: 160.10341952
SMILES and InChIs

SMILES:
N1(CCSC)CCNCC1
Canonical SMILES:
CSCCN1CCNCC1
InChI:
InChI=1S/C7H16N2S/c1-10-7-6-9-4-2-8-3-5-9/h8H,2-7H2,1H3
InChIKey:
UGZMAGZLJLYEAN-UHFFFAOYSA-N

Cite this record

CBID:309442 http://www.chembase.cn/molecule-309442.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(methylsulfanyl)ethyl]piperazine
IUPAC Traditional name
1-[2-(methylsulfanyl)ethyl]piperazine
Synonyms
1-[2-(methylthio)ethyl]piperazine
CAS Number
56764-71-7
MDL Number
MFCD15202286

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8696218  LogD (pH = 7.4) -1.5132955 
Log P 0.44661024  Molar Refractivity 47.8694 cm3
Polarizability 19.01616 Å3 Polar Surface Area 15.27 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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