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2-chloro-5-iodothiazole

CAT: 0127-OR1097029-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1097029-01Size:250 mg
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CAS Number
1518622-46-2
MDL Number
MFCD21728909
Purity
95%
Smiles
C1 (ncc (s1) I) Cl

Chemical Information

2-Chloro-5-iodo-1,3-thiazole
CAS Number1518622-46-2
PubChem CID66223255
IUPAC Name2-chloro-5-iodo-1,3-thiazole
Molecular FormulaC3HClINS
Molecular Weight245.47
XLogP2.6
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity72
SMILES
C1=C(SC(=N1)Cl)I
InChI
InChI=1S/C3HClINS/c4-3-6-1-2(5)7-3/h1H
InChIKey
JNQVWASZANLMNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-iodo-1,3-thiazole
CAS: 1518622-46-2
CID: 66223255
Formula: C3HClINS
MW: 245.47
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight245.47
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass244.85630
Monoisotopic Mass244.85630
Topological Polar Surface Area41.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity72
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