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Basic Information
CAS No.: 569339-86-2
Name: 1H-Indazole-5-thiol
Molecular Structure:
Molecular Structure of 569339-86-2 (1H-Indazole-5-thiol)
Formula: C7H6N2S
Molecular Weight: 150.20
Synonyms: MFCD13176737;
Density: 1.395 g/cm3
Boiling Point: 344.607 °C at 760 mmHg
Flash Point: 162.213 °C
PSA: 67.48000
LogP: 1.85160
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Specification

1H-Indazole-5-thiol is an organic compound with the formula C7H6N2S, and its systematic name is the same with the product name. Its CAS registry number is 569339-86-2. In addition, the molecular weight is 150.20.

Physical properties of 1H-Indazole-5-thiol are: (1)ACD/LogP: 2.122; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 21.42; (6)ACD/BCF (pH 7.4): 2.20; (7)ACD/KOC (pH 5.5): 301.62; (8)ACD/KOC (pH 7.4): 30.98; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.48 Å2; (13)Index of Refraction: 1.77; (14)Molar Refractivity: 44.795 cm3; (15)Molar Volume: 107.706 cm3; (16)Polarizability: 17.758×10-24cm3; (17)Surface Tension: 71.7 dyne/cm; (18)Density: 1.395 g/cm3; (19)Flash Point: 162.213 °C; (20)Enthalpy of Vaporization: 56.531 kJ/mol; (21)Boiling Point: 344.607 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Sc1cc2cnnc2cc1
(2)Std. InChI: InChI=1S/C7H6N2S/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)
(3)Std. InChIKey: ZISLUPNINLZWRT-UHFFFAOYSA-N