5-Chloro-2-(methylsulfanyl)aniline Hydrochloride - CAS 1209208-42-3

Name: 5-Chloro-2-(methylsulfanyl)aniline Hydrochloride
Brand: BOC Sciences
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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

Technical Data

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

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:	51.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0