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5-methoxy-2- (methylthio) pyridine

CAT: 0127-OR1099439-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1099439-01Size:250 mg
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CAS Number
2243215-44-1
MDL Number
MFCD32900102
Purity
97%
Smiles
C1 (cnc (cc1) SC) OC

Chemical Information

5-Methoxy-2-(methylthio)pyridine
CAS Number2243215-44-1
PubChem CID88979421
IUPAC Name5-methoxy-2-methylsulfanylpyridine
Molecular FormulaC7H9NOS
Molecular Weight155.22
XLogP1.7
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity99
SMILES
COC1=CN=C(C=C1)SC
InChI
InChI=1S/C7H9NOS/c1-9-6-3-4-7(10-2)8-5-6/h3-5H,1-2H3
InChIKey
VOQGGNUBUBMVOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-2-(methylthio)pyridine
CAS: 2243215-44-1
CID: 88979421
Formula: C7H9NOS
MW: 155.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight155.22
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass155.04048508
Monoisotopic Mass155.04048508
Topological Polar Surface Area47.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity99.6
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