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CAS No.: | 5434-06-0 |
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Name: | 4-METHANESULFONYL-BENZAMIDINE HCL |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H11ClN2O2S |
Molecular Weight: | 234.7 |
Synonyms: | Benzamidine,p-(methylsulfonyl)-, hydrochloride (6CI);Benzenecarboximidamide, 4-(methylsulfonyl)-,monohydrochloride (9CI);p-(Methylsulfonyl)benzamidine hydrochloride; |
EINECS: | 604-604-1 |
Boiling Point: | 386.3 °C at 760 mmHg |
Flash Point: | 187.5 °C |
PSA: | 92.39000 |
LogP: | 3.05700 |
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The Benzenecarboximidamide,4-(methylsulfonyl)-, hydrochloride (1:1), with the CAS registry number 5434-06-0, is also known as p-Methylsulphonylbenzamidine hydrochloride. This chemical's molecular formula is C8H11ClN2O2S and molecular weight is 234.022976. Its IUPAC name is called 4-methylsulfonylbenzenecarboximidamide hydrochloride. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of Benzenecarboximidamide,4-(methylsulfonyl)-, hydrochloride (1:1): (1)ACD/LogP: -0.62 ; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 2; (5)Flash Point: 187.5 °C; (6)Enthalpy of Vaporization: 63.53 kJ/mol; (7)Boiling Point: 386.3 °C at 760 mmHg; (8)Vapour Pressure: 3.57E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=N)N.Cl
(2)InChI: InChI=1S/C8H10N2O2S.ClH/c1-13(11,12)7-4-2-6(3-5-7)8(9)10;/h2-5H,1H3,(H3,9,10);1H
(3)InChIKey: NWSUEGIXYXLCIR-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | intravenous | 280mg/kg (280mg/kg) | VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION | Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 160, 1945. |
mouse | LD50 | intraperitoneal | 1200mg/kg (1200mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 160, 1945. |
mouse | LDLo | intramuscular | 1500mg/kg (1500mg/kg) | Lancet. Vol. 2, Pg. 523, 1944. |