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CAS No.: | 2933-29-1 |
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Name: | 4,5,6,7-tetrahydro-2-amino-benzothiazol |
Molecular Structure: | |
Formula: | C7H10N2S |
Molecular Weight: | 154.236 |
Synonyms: | Benzothiazole,2-amino-4,5,6,7-tetrahydro- (6CI,7CI,8CI);(4,5,6,7-Tetrahydrobenzothiazol-2-yl)amine;2-Amino-4,5,6,7-tetrahydrobenzothiazole;2-Amino-4,5-tetramethylenethiazole;4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine;4,5,6,7-Tetrahydrobenzo[d]thiazol-2-amine;4,5,6,7-Tetrahydrobenzothiazol-2-amine;NSC 45351; |
Density: | 1.272 g/cm3 |
Melting Point: | 86-89 °C |
Boiling Point: | 318.4 °C at 760 mmHg |
Flash Point: | 146.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 67.15000 |
LogP: | 2.18530 |
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The 4,5,6,7-Tetrahydro-benzothiazol-2-ylamine, with the CAS registry number 2933-29-1, is also known as 2-Amino-4,5-tetramethylenethiazole. This chemical's molecular formula is C7H10N2S and molecular weight is 154.2327. Its IUPAC name is called 4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of 4,5,6,7-Tetrahydro-benzothiazol-2-ylamine: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 0.9; (3)ACD/LogD (pH 7.4): 1.99; (4)ACD/BCF (pH 5.5): 1.51; (5)ACD/BCF (pH 7.4): 18.57; (6)ACD/KOC (pH 5.5): 21.83; (7)ACD/KOC (pH 7.4): 268.97; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Index of Refraction: 1.641; (11)Molar Refractivity: 43.75 cm3; (12)Molar Volume: 121.2 cm3; (13)Surface Tension: 59.4 dyne/cm; (14)Density: 1.272 g/cm3; (15)Flash Point: 146.4 °C; (16)Enthalpy of Vaporization: 55.99 kJ/mol; (17)Boiling Point: 318.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000361 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC2=C(C1)N=C(S2)N
(2)InChI: InChI=1S/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)
(3)InChIKey: SMWAOXCEPHEGFV-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 72mg/kg (72mg/kg) | Acta Pharmaceutica Suecica. Vol. 8, Pg. 49, 1971. |