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5-Iodo-2-methylthiazole

CAT: 0127-OR86020-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR86020-01Size:100 mg
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CAS Number
1412902-50-1
MDL Number
MFCD22479546
Purity
98%
Smiles
IC1=CN=C(C)S1

Chemical Information

5-Iodo-2-methyl-1,3-thiazole
CAS Number1412902-50-1
PubChem CID14601971
IUPAC Name5-iodo-2-methyl-1,3-thiazole
Molecular FormulaC4H4INS
Molecular Weight225.05
XLogP2
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity68
SMILES
CC1=NC=C(S1)I
InChI
InChI=1S/C4H4INS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKey
WSPHZZQQZDQEPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Iodo-2-methyl-1,3-thiazole
CAS: 1412902-50-1
CID: 14601971
Formula: C4H4INS
MW: 225.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight225.05
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass224.91092
Monoisotopic Mass224.91092
Topological Polar Surface Area41.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity68.7
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