5-Chloro-4-iodo-2-(methylthio)pyrimidine - CAS 107403-27-0
Catalog: |
BB002073 |
Product Name: |
5-Chloro-4-iodo-2-(methylthio)pyrimidine |
CAS: |
107403-27-0 |
Synonyms: |
5-chloro-4-iodo-2-(methylthio)pyrimidine; 5-chloro-4-iodo-2-methylsulfanylpyrimidine |
IUPAC Name: | 5-chloro-4-iodo-2-methylsulfanylpyrimidine |
Description: | 5-Chloro-4-iodo-2-(methylthio)pyrimidine (CAS# 107403-27-0 ) is a useful research chemical. |
Molecular Weight: | 286.52 |
Molecular Formula: | C5H4ClIN2S |
Canonical SMILES: | CSC1=NC=C(C(=N1)I)Cl |
InChI: | InChI=1S/C5H4ClIN2S/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3 |
InChI Key: | CHSAGHFASJLOFA-UHFFFAOYSA-N |
LogP: | 2.45650 |
Publication Number | Title | Priority Date |
CA-2813162-A1 | Pyridine-2- derivatives as smoothened receptor modulators | 20101020 |
CA-2813162-C | Pyridine-2- derivatives as smoothened receptor modulators | 20101020 |
EP-2630134-A1 | Pyridine- 2- derivatives as smoothened receptor modulators | 20101020 |
EP-2630134-B1 | Pyridine-2- derivatives as smoothened receptor modulators | 20101020 |
EP-2630134-B9 | Pyridine-2- derivatives as smoothened receptor modulators | 20101020 |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.88284 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.88284 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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