2(3H)-Benzothiazolimine,3,6-dimethyl- supplier

Name
3,6-DIMETHYL-3H-BENZOTHIAZOL-2-YLIDENEAMINE
EINECS
CAS No. 52853-54-0
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂S
Boiling Point 288.4 °C at 760 mmHg
Molecular Weight 178.258
Flash Point 128.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,6-dimethyl-3H-benzothiazol-2-one-imine;3,6-Dimethyl-3H-benzothiazol-2-ylideneamine;3,6-Dimethyl-3H-benzothiazol-2-on-imin;
PSA 57.02000
LogP 2.12740

2(3H)-Benzothiazolimine,3,6-dimethyl- Specification

The CAS registry number of 2(3H)-Benzothiazolimine,3,6-dimethyl- is 52853-54-0. This chemical's molecular formula is C₉H₁₀N₂S and molecular weight is 178.2541. What's more, its IUPAC name is called 3,6-Dimethyl-1,3-benzothiazol-2-imine.

Physical properties about 2(3H)-Benzothiazolimine,3,6-dimethyl- are: (1)ACD/LogP: 1.76; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.76; (7)ACD/KOC (pH 5.5): 4.29; (8)ACD/KOC (pH 7.4): 97.05; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.9 Å²; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 52.23 cm³; (15)Molar Volume: 140.6 cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.26 g/cm³; (18)Flash Point: 128.2 °C; (19)Enthalpy of Vaporization: 52.76 kJ/mol; (20)Boiling Point: 288.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00235 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [N@H]=C2Sc1cc(ccc1N2C)C
(2) InChI: InChI=1/C9H10N2S/c1-6-3-4-7-8(5-6)12-9(10)11(7)2/h3-5,10H,1-2H3/b10-9-
(3) InChIKey: PMACKGVXHRBIPC-KTKRTIGZBT

Product Name

3,6-DIMETHYL-3H-BENZOTHIAZOL-2-YLIDENEAMINE

2(3H)-Benzothiazolimine,3,6-dimethyl- Specification

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