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4,5-Dimethylthiazole

CAT: 0024-sc-233070Size: 5 gDry Ice: NoHazardous: No
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CAS Number
3581-91-7

Chemical Information

4,5-Dimethylthiazole

4,5-Dimethylthiazole is a member of thiazoles.

CAS Number3581-91-7
PubChem CID62510
IUPAC Name4,5-dimethyl-1,3-thiazole
Molecular FormulaC5H7NS
Molecular Weight113.18
XLogP1.8
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity65
SMILES
CC1=C(SC=N1)C
InChI
InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey
UWSONZCNXUSTKW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dimethylthiazole
CAS: 3581-91-7
CID: 62510
Formula: C5H7NS
MW: 113.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight113.18
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass113.02992040
Monoisotopic Mass113.02992040
Topological Polar Surface Area41.1 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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