2,5-Benzothiazolediamine supplier

Name
2,5-Benzothiazolediamine(9CI)
EINECS
CAS No. 50480-29-0
Article Data8
CAS DataBase
Density 1.49 g/cm³
Solubility
Melting Point 175 °C
Formula C₇H₇N₃S
Boiling Point 404.4 °C at 760 mmHg
Molecular Weight 165.219
Flash Point 198.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Benzothiazole-2,5-diamine;Benzo[d]thiazole-2,5-diamine;Benzothiazole-2,5-diamine;AMH_003;Albb-005801;
PSA
LogP

2,5-Benzothiazolediamine Specification

The 2,5-Benzothiazolediamine, with the CAS registry number 50480-29-0, is also known as Benzothiazole-2,5-diamine. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₇H₇N₃S and molecular weight is 165.22. What's more, its systematic name is 1,3-benzothiazole-2,5-diamine.

Physical properties of 2,5-Benzothiazolediamine are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.68; (7)ACD/KOC (pH 5.5): 19.79; (8)ACD/KOC (pH 7.4): 50.13; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.61 Å²; (13)Index of Refraction: 1.838; (14)Molar Refractivity: 49.04 cm³; (15)Molar Volume: 110.8 cm³; (16)Polarizability: 19.44×10^-24cm³; (17)Surface Tension: 88.7 dyne/cm; (18)Density: 1.49 g/cm³; (19)Flash Point: 198.4 °C; (20)Enthalpy of Vaporization: 65.58 kJ/mol; (21)Boiling Point: 404.4 °C at 760 mmHg; (22)Vapour Pressure: 9.49E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c2cc(ccc2sc1N)N
(2)Std. InChI: InChI=1S/C7H7N3S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,8H2,(H2,9,10)
(3)Std. InChIKey: HGSZQBRMZNHXJZ-UHFFFAOYSA-N

Product Name

2,5-Benzothiazolediamine(9CI)

2,5-Benzothiazolediamine Specification

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