Hippuric acid, thio- supplier

Name
(benzoylamino)ethanethioic S-acid
EINECS
CAS No. 6330-48-9
Density 1.239 g/cm³
Solubility
Melting Point
Formula C₉H₉NO₂S
Boiling Point 423 °C at 760 mmHg
Molecular Weight 195.2383
Flash Point 209.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiohippuric acid;HIPPURIC ACID, 1-THIO-;2-benzamidoethanethioic acid;Ethanethioic acid, (benzoylamino)- (9CI);(Benzoylamino)ethanethioic acid;
PSA
LogP

Hippuric acid, thio- Specification

This chemical is called Hippuric acid, thio-, and it can also be named as (Benzoylamino)ethanethioic acid. The molecular formula of this chemical is C₉H₉NO₂S. The CAS registry number of this chemical is 6330-48-9, and its systematic name is (benzoylamino)ethanethioic S-acid.

Other characteristics of the Hippuric acid, thio- can be summarised as followings: (1)ACD/LogP: 0.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.55; (4)ACD/LogD (pH 7.4): -2.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 62.68 Å²; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 52.43 cm³; (15)Molar Volume: 157.4 cm³; (16)Polarizability: 20.78×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.239 g/cm³; (19)Flash Point: 209.6 °C; (20)Enthalpy of Vaporization: 67.73 kJ/mol; (21)Boiling Point: 423 °C at 760 mmHg; (22)Vapour Pressure: 2.31E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(NCC(=O)S)c1ccccc1
2.InChI: InChI=1/C9H9NO2S/c11-8(13)6-10-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,12)(H,11,13)
3.InChIKey: DNGNKJUEEPHJFU-UHFFFAOYAR

Product Name

(benzoylamino)ethanethioic S-acid

Hippuric acid, thio- Specification

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