3-Chloro-5-iodobenzenethiol
Catalog: |
BB062332 |
Product Name: |
3-Chloro-5-iodobenzenethiol |
Synonyms: |
3-chloro-5-iodobenzenethiol |
IUPAC Name: | 3-chloro-5-iodobenzenethiol |
Description: | 3-Chloro-5-iodobenzenethiol is an analog of 3-Bromo-5-chlorobenzenethiol (B682145), a reactant used in the preparation of GPR120 agonists. |
Molecular Weight: | 270.52 |
Molecular Formula: | C6H4ClIS |
Canonical SMILES: | C1=C(C=C(C=C1Cl)I)S |
InChI: | InChI=1S/C6H4ClIS/c7-4-1-5(8)3-6(9)2-4/h1-3,9H |
InChI Key: | UOSSESRBUULVJS-UHFFFAOYSA-N |
Complexity: | 99.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.8767 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.8767 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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