-
Name
N-methyl-1,2-benzothiazol-3-amine hydrochloride (1:1)
- EINECS
- CAS No. 7765-88-0
- Density
- Solubility
- Melting Point
- Formula C8H8N2S.ClH
- Boiling Point 223.7 °C at 760 mmHg
- Molecular Weight 200.70
- Flash Point 89.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2,1-Benzisothiazole, 3-(methylamino)-, hydrochloride;N-methyl-9-thia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraen-7-amine hydrochloride;CI 624 hydrochloride;
- PSA
- LogP
3-(Methylamino)-2,1-benzisothiazole hydrochloride Specification
This chemical is called 3-(Methylamino)-2,1-benzisothiazole hydrochloride, and it can also be named as 2,1-Benzisothiazole, 3-(methylamino)-, hydrochloride. With the molecular formula of C8H8N2S.ClH, its molecular weight is 200.70. The CAS registry number of this chemical is 7765-88-0, and its classification code is Drug / Therapeutic Agent.
Other characteristics of the 3-(Methylamino)-2,1-benzisothiazole hydrochloride can be summarised as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 44.37 Å2; (7)Flash Point: 89.1 °C; (8)Enthalpy of Vaporization: 46.02 kJ/mol; (9)Boiling Point: 223.7 °C at 760 mmHg; (10)Vapour Pressure: 0.0949 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.n2sc1ccccc1c2NC
2.InChI: InChI=1/C8H8N2S.ClH/c1-9-8-6-4-2-3-5-7(6)11-10-8;/h2-5H,1H3,(H,9,10);1H
3.InChIKey: MHGXLCMBDVQNPF-UHFFFAOYAK
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | intraperitoneal | 346mg/kg (346mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 153, Pg. 292, 1966. | |
| rat | LD50 | oral | 576mg/kg (576mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 153, Pg. 292, 1966. | |
| rat | LD50 | subcutaneous | 599mg/kg (599mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 153, Pg. 292, 1966. |
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