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5-Methoxy-2-methylbenzothiazole

CAT: 0127-OR959552-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR959552-01Size:250 mg
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CAS Number
2941-69-7
MDL Number
MFCD00082664
Purity
98%
Smiles
COc1ccc2sc(C)nc2c1

Chemical Information

5-Methoxy-2-methylbenzothiazole
CAS Number2941-69-7
PubChem CID76252
IUPAC Name5-methoxy-2-methyl-1,3-benzothiazole
Molecular FormulaC9H9NOS
Molecular Weight179.24
XLogP2.8
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
CC1=NC2=C(S1)C=CC(=C2)OC
InChI
InChI=1S/C9H9NOS/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
InChIKey
SAQMNBWVOKYKPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-2-methylbenzothiazole
CAS: 2941-69-7
CID: 76252
Formula: C9H9NOS
MW: 179.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.24
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass179.04048508
Monoisotopic Mass179.04048508
Topological Polar Surface Area50.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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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