6-Benzothiazolamine,2-[(1-methylethyl)thio]- supplier

Name
6-Benzothiazolamine,2-[(1-methylethyl)thio]-(9CI)
EINECS
CAS No. 64350-93-2
Density 1.287 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂N₂S₂
Boiling Point 384.693 °C at 760 mmHg
Molecular Weight 224.351
Flash Point 186.456 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Isopropylthio)-6-aminobenzothiazole;6-Amino-2-(isopropylthio)benzothiazole;
PSA 92.45000
LogP 3.96020

6-Benzothiazolamine,2-[(1-methylethyl)thio]- Specification

The CAS registry number of 6-Benzothiazolamine,2-[(1-methylethyl)thio]- is 64350-93-2. It belongs to the product category of Benzothiazole. This chemical is also named as 6-Amino-2-(isopropylthio)benzothiazole. In addition, its molecular formula is C₁₀H₁₂N₂S₂ and molecular weight is 224.351. Its systematic name is called 2-isopropylsulfanyl-1,3-benzothiazol-6-amine.

Physical properties about this chemical are: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.659; (4)ACD/LogD (pH 7.4): 2.66; (5)ACD/BCF (pH 5.5): 61.695; (6)ACD/BCF (pH 7.4): 61.887; (7)ACD/KOC (pH 5.5): 664.788; (8)ACD/KOC (pH 7.4): 666.857; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.678; (13)Molar Refractivity: 65.744 cm³; (14)Molar Volume: 174.313 cm³; (15)Surface Tension: 61.14 dyne/cm; (16)Density: 1.287 g/cm³; (17)Flash Point: 186.456 °C; (18)Enthalpy of Vaporization: 63.34 kJ/mol; (19)Boiling Point: 384.693 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)Sc1nc2ccc(cc2s1)N
(2)InChI: InChI=1/C10H12N2S2/c1-6(2)13-10-12-8-4-3-7(11)5-9(8)14-10/h3-6H,11H2,1-2H3
(3)InChIKey: RJWKRIDCORWNAS-UHFFFAOYAN

Product Name

6-Benzothiazolamine,2-[(1-methylethyl)thio]-(9CI)

6-Benzothiazolamine,2-[(1-methylethyl)thio]- Specification

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