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2-Iodobenzothiazole

CAT: 0013-GTR19254285-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254285-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Iodobenzothiazole , with CAS No. 1123-99-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 2-Iodobenzothiazole provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
1123-99-5
Product Name Alternative
Compound 1123 99 5, Compound 1123995
Purity
98.78% (May vary between batches)
Smiles
Ic1nc2ccccc2s1
Molecular Formula
C7H4INS
Molecular Weight
261.08
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

2-Iodobenzothiazole
CAS Number1123-99-5
PubChem CID827981
IUPAC Name2-iodo-1,3-benzothiazole
Molecular FormulaC7H4INS
Molecular Weight261.08
XLogP3.3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
C1=CC=C2C(=C1)N=C(S2)I
InChI
InChI=1S/C7H4INS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey
WTKCRPLRJZZCMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodobenzothiazole
CAS: 1123-99-5
CID: 827981
Formula: C7H4INS
MW: 261.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.08
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass260.91092
Monoisotopic Mass260.91092
Topological Polar Surface Area41.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
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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