2-Chloro-6-(methylthio)benzenemethanol - CAS 1340127-12-9
Catalog: |
BB070010 |
Product Name: |
2-Chloro-6-(methylthio)benzenemethanol |
CAS: |
1340127-12-9 |
Synonyms: |
2-Chloro-6-(methylthio)benzenemethanol; (2-chloro-6-methylsulfanylphenyl)methanol; [2-chloro-6-(methylsulfanyl)phenyl]methanol |
IUPAC Name: | (2-chloro-6-methylsulfanylphenyl)methanol |
Description: | 2-Chloro-6-(methylthio)benzenemethanol is an intermediate used in the synthetic preparation of thiophene inhibitors of polo-like kinase. |
Molecular Weight: | 188.67 |
Molecular Formula: | C8H9ClOS |
Canonical SMILES: | CSC1=C(C(=CC=C1)Cl)CO |
InChI: | InChI=1S/C8H9ClOS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4,10H,5H2,1H3 |
InChI Key: | MDOOEIYIUANSRG-UHFFFAOYSA-N |
References: | Emmitte, K.A., et al. Bioorg. Med. Chem., 19, 1018 (2009). |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0062638 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0062638 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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