2-Methanesulfonyl-5-methylaniline - CAS 876494-64-3
Catalog: |
BB060225 |
Product Name: |
2-Methanesulfonyl-5-methylaniline |
CAS: |
876494-64-3 |
Synonyms: |
2-methanesulfonyl-5-methylaniline; 5-methyl-2-methylsulfonylaniline; 5-Methyl-2-(methylsulfonyl)aniline |
IUPAC Name: | 5-methyl-2-methylsulfonylaniline |
Description: | 2-Methanesulfonyl-5-methylaniline |
Molecular Weight: | 185.24 |
Molecular Formula: | C8H11NO2S |
Canonical SMILES: | CC1=CC(=C(C=C1)S(=O)(=O)C)N |
InChI: | InChI=1S/C8H11NO2S/c1-6-3-4-8(7(9)5-6)12(2,10)11/h3-5H,9H2,1-2H3 |
InChI Key: | ISHKAKXSQQNEKH-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.05104977 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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