6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine supplier

Name
6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-AMINE HYDROCHLORIDE
EINECS
CAS No. 7496-50-6
Article Data7
CAS DataBase
Density 1.191 g/cm³
Solubility
Melting Point 99℃
Formula C₈H₁₂N₂S
Boiling Point 317 °C at 760 mmHg
Molecular Weight 168.263
Flash Point 145.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydrobenzothiazol-2-amine;6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-AMINE HYDROCHLORIDE;6-Methyl-4,5,6,7-tetrahydro-benzothiazol-2-ylamine;Flunixin meglumin;
PSA 67.15000
LogP 2.43130

6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine Specification

The IUPAC name of this chemical is 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine. With the CAS registry number 7496-50-6, it is also named as 2-Benzothiazolamine, 4,5,6,7-tetrahydro-6-methyl-. The formula is C₈H₁₂N₂S and molecular weight is 168.26. In addition, this chemical should be avoided direct sunshine.

The other characteristics of 6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine can be summarized as: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 3.43; (6)ACD/BCF (pH 7.4): 43.66; (7)ACD/KOC (pH 5.5): 38.94; (8)ACD/KOC (pH 7.4): 494.97; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 48.45 cm³; (14)Molar Volume: 141.2 cm³; (15)Polarizability: 19.21×10^-24 cm³; (16)Surface Tension: 50.2 dyne/cm; (17)Enthalpy of Vaporization: 55.84 kJ/mol; (18)Vapour Pressure: 0.000396 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 168.072119; (21)MonoIsotopic Mass: 168.072119; (22)Topological Polar Surface Area: 67.2; (23)Heavy Atom Count: 11; (24)Complexity: 151.

People can use the following data to convert to the molecule structure.
1. SMILES:n1c2c(sc1N)CC(CC2)C
2. InChI:InChI=1/C8H12N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)
3. InChIKey:PWQFLEIGKAIACN-UHFFFAOYAD
4. Std. InChI:InChI=1S/C8H12N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)
5. Std. InChIKey:PWQFLEIGKAIACN-UHFFFAOYSA-N

Product Name

6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-AMINE HYDROCHLORIDE

6-Methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine Specification

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