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56706-10-6 molecular structure
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4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane

ChemBase ID: 180117
Molecular Formular: C18H42O6S2Si2
Molecular Mass: 474.82348
Monoisotopic Mass: 474.19613413
SMILES and InChIs

SMILES:
S(SCCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC
Canonical SMILES:
CCO[Si](OCC)(OCC)CCCSSCCC[Si](OCC)(OCC)OCC
InChI:
InChI=1S/C18H42O6S2Si2/c1-7-19-27(20-8-2,21-9-3)17-13-15-25-26-16-14-18-28(22-10-4,23-11-5)24-12-6/h7-18H2,1-6H3
InChIKey:
FBBATURSCRIBHN-UHFFFAOYSA-N

Cite this record

CBID:180117 http://www.chembase.cn/molecule-180117.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane
IUPAC Traditional name
4,4,13,13-tetraethoxy-3,14-dioxa-8,9-dithia-4,13-disilahexadecane
Synonyms
Bis[3-(triethoxysilyl)propyl]disulfide
CAS Number
56706-10-6
PubChem SID
164236027
PubChem CID
92506

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Chemik CHS027 external link Add to cart
PubChem 92506 external link
Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 92506 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2172  LogD (pH = 7.4) 4.2172 
Log P 4.2172  Molar Refractivity 114.5556 cm3
Polarizability 50.11494 Å3 Polar Surface Area 55.38 Å2
Rotatable Bonds 21  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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