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2-Methoxythiazole

CAT: 0127-OR350279-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR350279-02Size:100 g
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CAS Number
14542-13-3
MDL Number
MFCD01631143
Purity
=95%
Smiles
COc1nccs1
Storage Conditions
Store at 2-8°C

Chemical Information

2-Methoxythiazole
CAS Number14542-13-3
PubChem CID575451
IUPAC Name2-methoxy-1,3-thiazole
Molecular FormulaC4H5NOS
Molecular Weight115.16
XLogP1.3
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity59
SMILES
COC1=NC=CS1
InChI
InChI=1S/C4H5NOS/c1-6-4-5-2-3-7-4/h2-3H,1H3
InChIKey
MJJRDTKNLLMJDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxythiazole
CAS: 14542-13-3
CID: 575451
Formula: C4H5NOS
MW: 115.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight115.16
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass115.00918496
Monoisotopic Mass115.00918496
Topological Polar Surface Area50.4 Ų
Heavy Atom Count7
Formal Charge0
Complexity59.7
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