5-Chloro-2-(methylsulfanyl)aniline Hydrochloride - CAS 1209208-42-3
Catalog: |
BB062294 |
Product Name: |
5-Chloro-2-(methylsulfanyl)aniline Hydrochloride |
CAS: |
1209208-42-3 |
Synonyms: |
5-chloro-2-(methylsulfanyl)aniline hydrochloride; 5-chloro-2-methylsulfanylaniline; hydrochloride |
IUPAC Name: | 5-chloro-2-methylsulfanylanilinehydrochloride |
Description: | 5-Chloro-2-(methylsulfanyl)aniline Hydrochloride acts as a reagent in the preparation and structure activity relationships of 2-(anilinomethyl)imidazolines as α1 adrenergic receptor agonists. |
Molecular Weight: | 173.66 + 36.46 |
Molecular Formula: | C7H8ClNS·HCl |
Canonical SMILES: | CSC1=C(C=C(C=C1)Cl)N.Cl |
InChI: | InChI=1S/C7H8ClNS.ClH/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H31H |
InChI Key: | JRGSQBXAIVDPNN-UHFFFAOYSA-N |
References: | Hodson, S. J., et al. J. Med. Chem., 45, 2229 (2002). |
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 |
Publication Number | Title | Priority Date |
US-3272863-A | 1, 1'-(alkylene) bis | 19640327 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.9832759 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.9832759 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 51.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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