2-(Methylsulfonyl)benzyl Alcohol - CAS 864265-08-7
Catalog: |
BB037924 |
Product Name: |
2-(Methylsulfonyl)benzyl Alcohol |
CAS: |
864265-08-7 |
Synonyms: |
(2-methylsulfonylphenyl)methanol; (2-methylsulfonylphenyl)methanol |
IUPAC Name: | (2-methylsulfonylphenyl)methanol |
Description: | 2-(Methylsulfonyl)benzyl Alcohol (CAS# 864265-08-7) is an intermediate used in the synthetic preparation of thiophene inhibitors of polo-like kinase. |
Molecular Weight: | 186.23 |
Molecular Formula: | C8H10O3S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC=C1CO |
InChI: | InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3 |
InChI Key: | RKXFAGRISWUJGO-UHFFFAOYSA-N |
LogP: | 1.66320 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017207291-A1 | Methods for the treatment of myeloid derived suppressor cells related disorders | 20160111 |
US-2013196952-A1 | Heterocyclic derivatives for the treatment of diseases | 20100504 |
US-8916593-B2 | Alkoxy-substituted 2-aminopyridines as ALK inhibitors | 20100504 |
EP-2288594-A1 | Imidazolidine derivatives | 20080611 |
US-2009312382-A1 | Novel imidazolidine derivatives | 20080611 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.03506535 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.03506535 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 62.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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