Basic information
- Name:
2,5-Benzothiazolediamine
- CAS No.:
50480-29-0
- Molecular Structure:
- Formula:
- C7H7N3S
- Molecular Weight:
- 165.22
- Synonyms:
- 1,3-Benzothiazole-2,5-diamine;Benzo[d]thiazole-2,5-diamine;Benzothiazole-2,5-diamine;AMH_003;Albb-005801;
- Density:
- 1.49 g/cm3
- Boiling Point:
- 404.4 °C at 760 mmHg
- Flash Point:
- 198.4 °C
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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
