2-Ethyl-4-(methylsulfonyl)aniline - CAS 1823917-84-5
Catalog: |
BB013967 |
Product Name: |
2-Ethyl-4-(methylsulfonyl)aniline |
CAS: |
1823917-84-5 |
Synonyms: |
2-ethyl-4-methylsulfonylaniline; 2-ethyl-4-methylsulfonylaniline |
IUPAC Name: | 2-ethyl-4-methylsulfonylaniline |
Description: | 2-Ethyl-4-(methylsulfonyl)aniline (CAS# 1823917-84-5) is a useful research chemical. |
Molecular Weight: | 199.27 |
Molecular Formula: | C9H13NO2S |
Canonical SMILES: | CCC1=C(C=CC(=C1)S(=O)(=O)C)N |
InChI: | InChI=1S/C9H13NO2S/c1-3-7-6-8(13(2,11)12)4-5-9(7)10/h4-6H,3,10H2,1-2H3 |
InChI Key: | BELUNNGPPLTZKI-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-10172856-B2 | 2,4-diaminopyrimidine derivatives as histamine H4 modulators | 20170406 |
US-2018289706-A1 | 2,4-diaminopyrimidine derivatives as histamine h4 modulators | 20170406 |
WO-2018187652-A1 | 2,4-diaminopyrimidine derivatives as histamine h4 modulators | 20170406 |
WO-2017012647-A1 | Novel compounds and pharmaceutical compositions thereof for the treatment of inflammatory disorders | 20150720 |
US-4088785-A | Amidinoureas for the treatment of cardinascular disorders | 19760325 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.06669983 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.06669983 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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