3-Bromo-6-mercaptopyridine supplier

Name
3-Bromo-6-mercaptopyridine
EINECS
CAS No. 56673-34-8
Article Data13
CAS DataBase
Density 1.705 g/cm³
Solubility
Melting Point 202-208°C
Formula C₅H₄BrNS
Boiling Point 246.5 °C at 760 mmHg
Molecular Weight 190.063
Flash Point 102.9 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn
Synonyms 2-Pyridinemercaptan,5-bromo- (3CI);2-Mercapto-5-bromopyridine;5-Bromo-2-pyridinethiol;
PSA 51.69000
LogP 2.13280

3-Bromo-6-mercaptopyridine Specification

This chemical is called 3-Bromo-6-mercaptopyridine, and its systematic name is 5-bromopyridine-2-thiol. With the molecular formula of C₅H₄BrNS, its molecular weight is 190.06. The CAS registry number of this chemical is 56673-34-8.

Other characteristics of the 3-Bromo-6-mercaptopyridine can be summarised as followings: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 12.08; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 118.82; (8)ACD/KOC (pH 7.4): 10.11; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.69 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 40.2 cm³; (15)Molar Volume: 111.4 cm³; (16)Polarizability: 15.94×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.705 g/cm³; (19)Flash Point: 102.9 °C; (20)Enthalpy of Vaporization: 46.41 kJ/mol; (21)Boiling Point: 246.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0424 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1cnc(S)cc1
2.InChI: InChI=1/C5H4BrNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
3.InChIKey: JPWXLRZTRDTFMR-UHFFFAOYAV

Product Name

3-Bromo-6-mercaptopyridine

3-Bromo-6-mercaptopyridine Specification

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