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Diisobutylsulfide

CAT: 0931-TN9712-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9712-01Size:500 mg
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CAS Number
592-65-4
Target
Others
Related Pathways
Others
Bioactivity
Diisobutylsulfide is an organic sulfur compound that can be used in biochemical experiments and drug synthesis research.
Smiles
S(CC(C)C)CC(C)C
Molecular Formula
C8H18S
Molecular Weight
146.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isobutyl Sulfide
CAS Number592-65-4
PubChem CID11608
IUPAC Name2-methyl-1-(2-methylpropylsulfanyl)propane
Molecular FormulaC8H18S
Molecular Weight146.30
XLogP3.5
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity49
SMILES
CC(C)CSCC(C)C
InChI
InChI=1S/C8H18S/c1-7(2)5-9-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
CMWSRWTXVQLHNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyl Sulfide
CAS: 592-65-4
CID: 11608
Formula: C8H18S
MW: 146.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.30
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass146.11292175
Monoisotopic Mass146.11292175
Topological Polar Surface Area25.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity49.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19254681-01Diisobutylsulfide

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