5-(Methylsulfanyl)-2-thienylboronic acid supplier

Name
5-(Methylsulfanyl)-2-thienylboronic acid
EINECS
CAS No. 499769-93-6
Density 1.36 g/cm³
Solubility
Melting Point 130.4℃
Formula C₅H₇BO₂S₂
Boiling Point 360.1 °C at 760 mmHg
Molecular Weight 174.05
Flash Point 171.6 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms Boronic acid, [5-(methylthio)-2-thienyl]- (9CI);
PSA 94.00000
LogP 0.14980

5-(Methylsulfanyl)-2-thienylboronic acid Specification

The 5-(Methylsulfanyl)-2-thienylboronic acid, with the CAS registry number 499769-93-6, is also known as Boronic acid, [5-(methylthio)-2-thienyl]- (9CI). It belongs to the product categories of Boronicacid; Boronic Acids. This chemical's molecular formula is C₅H₇BO₂S₂ and molecular weight is 174.05. What's more, its systematic name is [5-(Methylsulfanyl)thiophen-2-yl]boronic acid.

Physical properties about 5-(Methylsulfanyl)-2-thienylboronic acid are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 12.65; (6)ACD/BCF (pH 7.4): 11.61; (7)ACD/KOC (pH 5.5): 213.95; (8)ACD/KOC (pH 7.4): 196.37; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 72 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 44.06 cm³; (15)Molar Volume: 127.2 cm³; (16)Polarizability: 17.47×10^-24 cm³; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 171.6 °C; (20)Enthalpy of Vaporization: 63.92 kJ/mol; (21)Boiling Point: 360.1 °C at 760 mmHg; (22)Vapour Pressure: 8.16E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1sc(SC)cc1
(2) InChI: InChI=1/C5H7BO2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3,7-8H,1H3
(3) InChIKey: VJIBVVHZWZYSGG-UHFFFAOYAN

Product Name

5-(Methylsulfanyl)-2-thienylboronic acid

5-(Methylsulfanyl)-2-thienylboronic acid Specification

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