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2,4-dimethoxy-3- (methylthio) pyridine

CAT: 0127-OR1090451-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1090451-01Size:250 mg
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CAS Number
2918904-15-9
MDL Number
MFCD34780795
Purity
97%
Smiles
C1cnc (c (c1OC) SC) OC

Chemical Information

2,4-Dimethoxy-3-(methylthio)pyridine
CAS Number2918904-15-9
PubChem CID177690850
IUPAC Name2,4-dimethoxy-3-methylsulfanylpyridine
Molecular FormulaC8H11NO2S
Molecular Weight185.25
XLogP1.6
Topological Polar Surface Area56.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity134
SMILES
COC1=C(C(=NC=C1)OC)SC
InChI
InChI=1S/C8H11NO2S/c1-10-6-4-5-9-8(11-2)7(6)12-3/h4-5H,1-3H3
InChIKey
VMEWBLDRNJRMNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethoxy-3-(methylthio)pyridine
CAS: 2918904-15-9
CID: 177690850
Formula: C8H11NO2S
MW: 185.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight185.25
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass185.05104977
Monoisotopic Mass185.05104977
Topological Polar Surface Area56.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity134
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