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863248-54-8 molecular structure
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4-(methylamino)-1λ6-thiane-1,1-dione

ChemBase ID: 308950
Molecular Formular: C6H13NO2S
Molecular Mass: 163.23792
Monoisotopic Mass: 163.06669966
SMILES and InChIs

SMILES:
S1(=O)(=O)CCC(CC1)NC
Canonical SMILES:
CNC1CCS(=O)(=O)CC1
InChI:
InChI=1S/C6H13NO2S/c1-7-6-2-4-10(8,9)5-3-6/h6-7H,2-5H2,1H3
InChIKey:
GZCQKWYJTWFNEX-UHFFFAOYSA-N

Cite this record

CBID:308950 http://www.chembase.cn/molecule-308950.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(methylamino)-1λ6-thiane-1,1-dione
IUPAC Traditional name
4-(methylamino)-1λ6-thiane-1,1-dione
Synonyms
(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methylamine
CAS Number
863248-54-8
MDL Number
MFCD12187546

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -4.5242705  LogD (pH = 7.4) -3.4214282 
Log P -1.352835  Molar Refractivity 40.5234 cm3
Polarizability 16.779062 Å3 Polar Surface Area 46.17 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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