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Furfuryl methyl sulfide

CAT: 0013-GTR19251100-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19251100-01Size:100 mg
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Description
Furfuryl methyl sulfide
CAS Number
1438-91-1
Smiles
CSCc1ccco1
Molecular Formula
C6H8OS
Molecular Weight
128.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Furfuryl methyl sulfide
CAS Number1438-91-1
PubChem CID518937
IUPAC Name2-(methylsulfanylmethyl)furan
Molecular FormulaC6H8OS
Molecular Weight128.19
XLogP1.6
Topological Polar Surface Area38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity65
SMILES
CSCC1=CC=CO1
InChI
InChI=1S/C6H8OS/c1-8-5-6-3-2-4-7-6/h2-4H,5H2,1H3
InChIKey
SKSFHXVDHVKIBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furfuryl methyl sulfide
CAS: 1438-91-1
CID: 518937
Formula: C6H8OS
MW: 128.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.19
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass128.02958605
Monoisotopic Mass128.02958605
Topological Polar Surface Area38.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity65.5
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

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