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1158774-67-4 molecular structure
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1-(thian-4-yl)piperidin-4-amine

ChemBase ID: 308983
Molecular Formular: C10H20N2S
Molecular Mass: 200.3442
Monoisotopic Mass: 200.13471965
SMILES and InChIs

SMILES:
N1(CCC(CC1)N)C1CCSCC1
Canonical SMILES:
NC1CCN(CC1)C1CCSCC1
InChI:
InChI=1S/C10H20N2S/c11-9-1-5-12(6-2-9)10-3-7-13-8-4-10/h9-10H,1-8,11H2
InChIKey:
LJDBWJGRQUBZBU-UHFFFAOYSA-N

Cite this record

CBID:308983 http://www.chembase.cn/molecule-308983.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(thian-4-yl)piperidin-4-amine
IUPAC Traditional name
1-(thian-4-yl)piperidin-4-amine
Synonyms
1-(tetrahydro-2H-thiopyran-4-yl)-4-piperidinamine
CAS Number
1158774-67-4
MDL Number
MFCD12198091

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4035511 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) -5.875835  LogD (pH = 7.4) -3.9350612 
Log P 0.2540075  Molar Refractivity 59.823 cm3
Polarizability 23.816616 Å3 Polar Surface Area 29.26 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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