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2-Methylfuran-3-thiol

CAT: 0127-OR80775Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
28588-74-1
MDL Number
MFCD00010280
Purity
95%
Smiles
SC1=C(C)OC=C1

Chemical Information

2-Methyl-3-furanthiol

2-Methyl-3-furanthiol is a heteroarene.

CAS Number28588-74-1
PubChem CID34286
IUPAC Name2-methylfuran-3-thiol
Molecular FormulaC5H6OS
Molecular Weight114.17
XLogP1.5
Topological Polar Surface Area14.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity65
SMILES
CC1=C(C=CO1)S
InChI
InChI=1S/C5H6OS/c1-4-5(7)2-3-6-4/h2-3,7H,1H3
InChIKey
RUYNUXHHUVUINQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-3-furanthiol
CAS: 28588-74-1
CID: 34286
Formula: C5H6OS
MW: 114.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.17
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass114.01393598
Monoisotopic Mass114.01393598
Topological Polar Surface Area14.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity65.1
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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