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10359-66-7 molecular structure
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2-(propylsulfanyl)butane

ChemBase ID: 112845
Molecular Formular: C7H16S
Molecular Mass: 132.26694
Monoisotopic Mass: 132.09727151
SMILES and InChIs

SMILES:
CCCSC(C)CC
Canonical SMILES:
CCCSC(CC)C
InChI:
InChI=1S/C7H16S/c1-4-6-8-7(3)5-2/h7H,4-6H2,1-3H3
InChIKey:
ZGVPENKHDNEGTK-UHFFFAOYSA-N

Cite this record

CBID:112845 http://www.chembase.cn/molecule-112845.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(propylsulfanyl)butane
IUPAC Traditional name
2-(propylsulfanyl)butane
Synonyms
sec-BUTYL PROPYL SULFIDE
CAS Number
10359-66-7
PubChem SID
162097724
PubChem CID
525453

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05226145 external link Add to cart Please log in.
Data Source Data ID
PubChem 525453 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0874813  LogD (pH = 7.4) 3.0874813 
Log P 3.0874813  Molar Refractivity 42.0033 cm3
Polarizability 16.714588 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 - 05226145 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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