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5-Phenylthiazole

CAT: 0127-OR91034-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR91034-01Size:250 mg
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CAS Number
1826-13-7
MDL Number
MFCD12911591
Purity
95%
Smiles
C1=CC=C(C=C1)C2=CN=CS2

Chemical Information

5-Phenylthiazole
CAS Number1826-13-7
PubChem CID595209
IUPAC Name5-phenyl-1,3-thiazole
Molecular FormulaC9H7NS
Molecular Weight161.23
XLogP2.6
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
C1=CC=C(C=C1)C2=CN=CS2
InChI
InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
InChIKey
ZLLOWHFKKIOINR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Phenylthiazole
CAS: 1826-13-7
CID: 595209
Formula: C9H7NS
MW: 161.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.23
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass161.02992040
Monoisotopic Mass161.02992040
Topological Polar Surface Area41.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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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