4-Hydroxy-6-(methylsulfonyl)quinazoline - CAS 183322-50-1
Catalog: |
BB014051 |
Product Name: |
4-Hydroxy-6-(methylsulfonyl)quinazoline |
CAS: |
183322-50-1 |
Synonyms: |
6-methylsulfonyl-3H-quinazolin-4-one; 6-methylsulfonyl-3H-quinazolin-4-one |
IUPAC Name: | 6-methylsulfonyl-3H-quinazolin-4-one |
Description: | 4-Hydroxy-6-(methylsulfonyl)quinazoline (CAS# 183322-50-1) is a useful research chemical. |
Molecular Weight: | 224.24 |
Molecular Formula: | C9H8N2O3S |
Canonical SMILES: | CS(=O)(=O)C1=CC2=C(C=C1)N=CNC2=O |
InChI: | InChI=1S/C9H8N2O3S/c1-15(13,14)6-2-3-8-7(4-6)9(12)11-5-10-8/h2-5H,1H3,(H,10,11,12) |
InChI Key: | NMNMIARUPWAQPX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-103459384-A | Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture | 20101124 |
JP-2013544829-A | Benzoxazepine as an inhibitor of PI3K / mTOR and use and method of preparation thereof | 20101124 |
US-2014107100-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | 20101124 |
EP-2640366-A2 | Benzoxazepines as inhibitors of pi3k/mtor and methods of their use and manufacture | 20101115 |
US-2014080810-A1 | Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture | 20101115 |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0255633 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0255633 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 84 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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