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Thiazolo[5,4-b]pyridine-2(1H)-thione

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Name

Thiazolo[5,4-b]pyridine-2(1H)-thione

EINECS N/A
CAS No. 57135-09-8 Density 1.56g/cm3
PSA 92.82000 LogP 1.98000
Solubility N/A Melting Point >300°C
Formula C6H4N2S2 Boiling Point 343.9 °C at 760 mmHg
Molecular Weight 168.243 Flash Point 161.8 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 57135-09-8 (PYRIDO[3,2-D][1,3]THIAZOLE-2-THIOL) Hazard Symbols Xi,Xn
Synonyms

2-Mercaptothiazolo[5,4-b]pyridine;[1,3]Thiazolo[5,4-b]pyridine-2-thiol;

Article Data 11

Thiazolo[5,4-b]pyridine-2(1H)-thione Specification

The Thiazolo[5,4-b]pyridine-2(1H)-thione, with CAS registry number 57135-09-8, has the systematic name of [1,3]thiazolo[5,4-b]pyridine-2(1H)-thione. Besides this, it is also called Pyrido[3,2-d][1,3]thiazole-2-thiol. And the chemical formula of this chemical is C6H4N2S2.

Physical properties of Thiazolo[5,4-b]pyridine-2(1H)-thione: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.77; (6)ACD/BCF (pH 7.4): 2.55; (7)ACD/KOC (pH 5.5): 72.08; (8)ACD/KOC (pH 7.4): 66.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 73.52 Å2; (13)Index of Refraction: 1.802; (14)Molar Refractivity: 45.9 cm3; (15)Molar Volume: 107.1 cm3; (16)Polarizability: 18.19×10-24cm3; (17)Surface Tension: 95.7 dyne/cm; (18)Density: 1.56 g/cm3; (19)Flash Point: 161.8 °C; (20)Enthalpy of Vaporization: 58.78 kJ/mol; (21)Boiling Point: 343.9 °C at 760 mmHg; (22)Vapour Pressure: 6.85E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Thiazolo[5,4-b]pyridine-2(1H)-thione irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C2Sc1ncccc1N2
(2)InChI: InChI=1/C6H4N2S2/c9-6-8-4-2-1-3-7-5(4)10-6/h1-3H,(H,8,9)
(3)InChIKey: WITYIAHCBUYCSY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H4N2S2/c9-6-8-4-2-1-3-7-5(4)10-6/h1-3H,(H,8,9)
(5)Std. InChIKey: WITYIAHCBUYCSY-UHFFFAOYSA-N

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