5-Chloro-2-(methylthio)pyrimidin-4-ol - CAS 61044-94-8
Catalog: |
BB030918 |
Product Name: |
5-Chloro-2-(methylthio)pyrimidin-4-ol |
CAS: |
61044-94-8 |
Synonyms: |
5-chloro-2-(methylthio)-1H-pyrimidin-6-one; 5-chloro-2-methylsulfanyl-1H-pyrimidin-6-one |
IUPAC Name: | 5-chloro-2-methylsulfanyl-1H-pyrimidin-6-one |
Description: | 5-Chloro-2-(methylthio)pyrimidin-4-ol (CAS# 61044-94-8 ) is a useful research chemical. |
Molecular Weight: | 176.62 |
Molecular Formula: | C5H5ClN2OS |
Canonical SMILES: | CSC1=NC=C(C(=O)N1)Cl |
InChI: | InChI=1S/C5H5ClN2OS/c1-10-5-7-2-3(6)4(9)8-5/h2H,1H3,(H,7,8,9) |
InChI Key: | UXTNYZWGVQQIEW-UHFFFAOYSA-N |
LogP: | 1.55750 |
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: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.9811117 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.9811117 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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