Boronic acid,B-[3-(aminothioxomethyl)phenyl]- supplier

Name
3-BORONOBENZOTHIOAMIDE
EINECS
CAS No. 850568-10-4
Density 1.36 g/cm³
Solubility
Melting Point 188-192 °C
Formula C₇H₈BNO₂S
Boiling Point 420.2 °C at 760 mmHg
Molecular Weight 181.02
Flash Point 207.9 °C
Transport Information
Appearance
Safety
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [3-(aminothioxomethyl)phenyl]- (9CI);
PSA
LogP

Boronic acid,B-[3-(aminothioxomethyl)phenyl]- Specification

The Boronic acid,B-[3-(aminothioxomethyl)phenyl]-, with the CAS registry number 850568-10-4, is also known as 3-Boronobenzothioamide. It belongs to the product categories of Blocks; BoronicAcids. This chemical's molecular formula is C₇H₈BNO₂S and molecular weight is 181.02. What's more, its systematic name is called (3-Carbamothioylphenyl)boronic acid. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Boronic acid,B-[3-(aminothioxomethyl)phenyl]- are: (1) ACD/LogP: 0.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.86; (4) ACD/LogD (pH 7.4): 0.71; (5) #H bond acceptors: 3; (6) #H bond donors: 4; (7) #Freely Rotating Bonds: 4; (8) Polar Surface Area: 98.57 Å²; (9) Index of Refraction: 1.656; (10) Molar Refractivity: 48.65 cm³; (11) Molar Volume: 132.3 cm³; (12) Surface Tension: 72.6 dyne/cm; (13) Density: 1.36 g/cm³; (14) Flash Point: 207.9 °C; (15) Enthalpy of Vaporization: 71.06 kJ/mol; (16) Boiling Point: 420.2 °C at 760 mmHg; (17) Vapour Pressure: 8.2E-08 mmHg at 25 °C; (18) Melting Point: 188-192 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cccc(c1)C(=S)N)(O)O
(2) InChI: InChI=1/C7H8BNO2S/c9-7(12)5-2-1-3-6(4-5)8(10)11/h1-4,10-11H,(H2,9,12)
(3) InChIKey: ZPKLUYJBCAHWIW-UHFFFAOYAT

Product Name

3-BORONOBENZOTHIOAMIDE

Boronic acid,B-[3-(aminothioxomethyl)phenyl]- Specification

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