4,5,6,7-Tetrahydro-benzothiazol-2-ylamine supplier

Name
4,5,6,7-tetrahydro-2-amino-benzothiazol
EINECS
CAS No. 2933-29-1
Density 1.272 g/cm³
Solubility
Melting Point 86-89 °C
Formula C₇H₁₀N₂S
Boiling Point 318.4 °C at 760 mmHg
Molecular Weight 154.236
Flash Point 146.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 67.15000
LogP 2.18530

4,5,6,7-Tetrahydro-benzothiazol-2-ylamine Specification

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.

Product Name

4,5,6,7-tetrahydro-2-amino-benzothiazol

4,5,6,7-Tetrahydro-benzothiazol-2-ylamine Specification

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