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14290-92-7 molecular structure
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2-(ethylsulfanyl)-2-methylpropane

ChemBase ID: 108026
Molecular Formular: C6H14S
Molecular Mass: 118.24036
Monoisotopic Mass: 118.08162145
SMILES and InChIs

SMILES:
CCSC(C)(C)C
Canonical SMILES:
CCSC(C)(C)C
InChI:
InChI=1S/C6H14S/c1-5-7-6(2,3)4/h5H2,1-4H3
InChIKey:
GZJUDUMQICJSFJ-UHFFFAOYSA-N

Cite this record

CBID:108026 http://www.chembase.cn/molecule-108026.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(ethylsulfanyl)-2-methylpropane
IUPAC Traditional name
2-(ethylsulfanyl)-2-methylpropane
Synonyms
tert-BUTYL ETHYL SULFIDE
CAS Number
14290-92-7
PubChem SID
162093796
PubChem CID
139723

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05205792 external link Add to cart Please log in.
Data Source Data ID
PubChem 139723 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2192352  LogD (pH = 7.4) 2.2192352 
Log P 2.2192352  Molar Refractivity 37.6427 cm3
Polarizability 14.868646 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05205792 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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