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151775-04-1 molecular structure
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3-[(2-hydroxyethyl)amino]-3-methyl-1λ6-thiolane-1,1-dione

ChemBase ID: 307133
Molecular Formular: C7H15NO3S
Molecular Mass: 193.2639
Monoisotopic Mass: 193.07726435
SMILES and InChIs

SMILES:
S1(=O)(=O)CC(CC1)(NCCO)C
Canonical SMILES:
OCCNC1(C)CCS(=O)(=O)C1
InChI:
InChI=1S/C7H15NO3S/c1-7(8-3-4-9)2-5-12(10,11)6-7/h8-9H,2-6H2,1H3
InChIKey:
SYXGZQKBWXSACH-UHFFFAOYSA-N

Cite this record

CBID:307133 http://www.chembase.cn/molecule-307133.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[(2-hydroxyethyl)amino]-3-methyl-1λ6-thiolane-1,1-dione
IUPAC Traditional name
3-[(2-hydroxyethyl)amino]-3-methyl-1λ6-thiolane-1,1-dione
Synonyms
2-[(3-methyl-1,1-dioxidotetrahydro-3-thienyl)amino]ethanol
CAS Number
151775-04-1
MDL Number
MFCD00519629

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) -4.4613075  LogD (pH = 7.4) -2.7389567 
Log P -1.8223202  Molar Refractivity 46.1749 cm3
Polarizability 19.272625 Å3 Polar Surface Area 66.4 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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