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4396-19-4 molecular structure
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{[(ethylsulfanyl)methyl]sulfanyl}ethane

ChemBase ID: 162301
Molecular Formular: C5H12S2
Molecular Mass: 136.27878
Monoisotopic Mass: 136.03804238
SMILES and InChIs

SMILES:
CCSCSCC
Canonical SMILES:
CCSCSCC
InChI:
InChI=1S/C5H12S2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
InChIKey:
RJQVVQDWHKZIHU-UHFFFAOYSA-N

Cite this record

CBID:162301 http://www.chembase.cn/molecule-162301.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[(ethylsulfanyl)methyl]sulfanyl}ethane
IUPAC Traditional name
{[(ethylsulfanyl)methyl]sulfanyl}ethane
Synonyms
1,1'-[Methylenebis(thio)]bis-ethane
Formaldehyde Diethyl Dithioacetal
Formaldehyde Diethyl Mercaptal
Methylenebis[ethyl Sulfide]
NSC 89868
Bis(ethylthio)methane
CAS Number
4396-19-4
PubChem SID
162256436
PubChem CID
78108

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B434750 external link Add to cart
PubChem 78108 external link
Data Source Data ID Price
TRC
B434750 external link Add to cart Please log in.
Data Source Data ID
PubChem 78108 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3232732  LogD (pH = 7.4) 2.3232732 
Log P 2.3232732  Molar Refractivity 40.6031 cm3
Polarizability 16.076862 Å3 Polar Surface Area 0.0 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
Dichloromethane expand Show data source
Tetrahydrofuran expand Show data source
Apperance
Colourless Liquid expand Show data source
Boiling Point
181-183°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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