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13121-76-1 molecular structure
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tricyclohexyl[(tricyclohexylstannyl)sulfanyl]stannane

ChemBase ID: 138718
Molecular Formular: C36H66SSn2
Molecular Mass: 768.37624
Monoisotopic Mass: 770.29291111
SMILES and InChIs

SMILES:
C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)S[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
Canonical SMILES:
C1CCC(CC1)[Sn](C1CCCCC1)(C1CCCCC1)S[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/6C6H11.S.2Sn/c6*1-2-4-6-5-3-1;;;/h6*1H,2-6H2;;;
InChIKey:
NBTHYJWPOYZDHL-UHFFFAOYSA-N

Cite this record

CBID:138718 http://www.chembase.cn/molecule-138718.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tricyclohexyl[(tricyclohexylstannyl)sulfanyl]stannane
IUPAC Traditional name
tricyclohexyl[(tricyclohexylstannyl)sulfanyl]stannane
Synonyms
Bis(tricyclohexyltin(IV)) sulfide
双(三环己基锡(IV))硫化物
CAS Number
13121-76-1
MDL Number
MFCD00012055
PubChem SID
24856297
162232969
PubChem CID
16685241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
268852 external link Add to cart Please log in.
Data Source Data ID
PubChem 16685241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 15.4593  LogD (pH = 7.4) 15.4593 
Log P 15.4593  Molar Refractivity 166.188 cm3
Polarizability 76.32969 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
130-132 °C(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
3146 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3146 6.1/PG 3 expand Show data source
Linear Formula
[(C6H11)3Sn]2S expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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