6-Benzothiazolamine,2-phenyl- supplier

Name
2-Phenyl-benzothiazol-6-ylamine
EINECS
CAS No. 6392-97-8
Article Data8
CAS DataBase
Density 1.301 g/cm³
Solubility
Melting Point 206-207 °C
Formula C₁₃H₁₀N₂S
Boiling Point 430.9 °C at 760 mmHg
Molecular Weight 226.302
Flash Point 214.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Phenyl-6-aminobenzothiazole;6-Amino-2-phenylbenzothiazole;Benzothiazole,6-amino-2-phenyl- (6CI,7CI,8CI);
PSA 67.15000
LogP 4.12670

6-Benzothiazolamine,2-phenyl- Specification

The 6-Benzothiazolamine,2-phenyl-, with the CAS registry number 6392-97-8, is also known as 6-Amino-2-phenylbenzothiazole. This chemical's molecular formula is C₁₃H₁₀N₂S and molecular weight is 226.297. What's more, its IUPAC name is 2-phenyl-1,3-benzothiazol-6-amine.

Physical properties of 6-Benzothiazolamine,2-phenyl- are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.98; (4)ACD/BCF (pH 5.5): 107.6; (5)ACD/BCF (pH 7.4): 107.95; (6)ACD/KOC (pH 5.5): 989.88; (7)ACD/KOC (pH 7.4): 993.11; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 44.37 Å²; (12)Index of Refraction: 1.73; (13)Molar Refractivity: 69.39 cm³; (14)Molar Volume: 173.8 cm³; (15)Polarizability: 27.51×10^-24cm³; (16)Surface Tension: 61.9 dyne/cm; (17)Density: 1.301 g/cm³; (18)Flash Point: 214.4 °C; (19)Enthalpy of Vaporization: 68.64 kJ/mol; (20)Boiling Point: 430.9 °C at 760 mmHg; (21)Vapour Pressure: 1.25E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)N
(2)InChI: InChI=1S/C13H10N2S/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8H,14H2
(3)InChIKey: KRLJYUSJAVJLTM-UHFFFAOYSA-N

Product Name

2-Phenyl-benzothiazol-6-ylamine

6-Benzothiazolamine,2-phenyl- Specification

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