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94594-90-8 molecular structure
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10,10-dimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-dione

ChemBase ID: 163568
Molecular Formular: C10H17NO2S
Molecular Mass: 215.31248
Monoisotopic Mass: 215.09799979
SMILES and InChIs

SMILES:
C1C23C(CC(C1)C2(C)C)NS(=O)(=O)C3
Canonical SMILES:
O=S1(=O)NC2C3(C1)CCC(C2)C3(C)C
InChI:
InChI=1S/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3
InChIKey:
DPJYJNYYDJOJNO-UHFFFAOYSA-N

Cite this record

CBID:163568 http://www.chembase.cn/molecule-163568.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10,10-dimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-dione
IUPAC Traditional name
10,10-dimethyl-3λ6-thia-4-azatricyclo[5.2.1.01,5]decane-3,3-dione
Synonyms
(1S)-(-)-10,2-Camphorsultam
(2R)-Bornane-10,2-sultam
Hexahydro-8,8-dimethyl-3H-3a,6-methano-2,1-benzisothiazole
(1S)-Camphorsultam
CAS Number
94594-90-8
PubChem SID
162257703
PubChem CID
145454

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C175125 external link Add to cart
PubChem 145454 external link
Data Source Data ID Price
TRC
C175125 external link Add to cart Please log in.
Data Source Data ID
PubChem 145454 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.407443  H Acceptors
H Donor LogD (pH = 5.5) 0.5864519 
LogD (pH = 7.4) 0.5860786  Log P 0.58645666 
Molar Refractivity 53.6538 cm3 Polarizability 22.299479 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Ethanol expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
170-173°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C175125 external link
Reagent used to make Camphorsultam conjugates.

REFERENCES

REFERENCES

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  • • Springthorpe, B., et al.: Bioorg. Med. Chem. Lett., 17, 6013 (2007)
  • • Inoue, M., et al.: Nat. Chem., 2, 280 (2007)
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PATENTS

PATENTS

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INTERNET

INTERNET

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