Benzeneaceticacid, a-[(carboxymethyl)thio]- supplier

Name
2-(carboxymethylsulfanyl)-2-phenyl-acetic acid
EINECS
CAS No. 13330-93-3
Density 1.42g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀O₄S
Boiling Point 412.6 °C at 760 mmHg
Molecular Weight 226.249
Flash Point 203.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, 2-phenyl-2,2'-thiodi- (6CI,7CI,8CI);NSC 109959;
PSA 99.90000
LogP 1.63010

Benzeneaceticacid, a-[(carboxymethyl)thio]- Specification

The Benzeneaceticacid, a-[(carboxymethyl)thio]-, with CAS registry number 13330-93-3, has the systematic name of [(carboxymethyl)sulfanyl](phenyl)acetic acid. Besides this, it is also called 2-(carboxymethylsulfanyl)-2-phenyl-acetic acid. And the chemical formula of this chemical is C₁₀H₁₀O₄S.

Physical properties of Benzeneaceticacid, a-[(carboxymethyl)thio]-: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 77.9 Å²; (7)Index of Refraction: 1.623; (8)Molar Refractivity: 56.19 cm³; (9)Molar Volume: 159.2 cm³; (10)Polarizability: 22.27×10^-24cm³; (11)Surface Tension: 67.4 dyne/cm; (12)Density: 1.42 g/cm³; (13)Flash Point: 203.4 °C; (14)Enthalpy of Vaporization: 70.15 kJ/mol; (15)Boiling Point: 412.6 °C at 760 mmHg; (16)Vapour Pressure: 1.51E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(SCC(=O)O)c1ccccc1
(2)InChI: InChI=1/C10H10O4S/c11-8(12)6-15-9(10(13)14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)(H,13,14)
(3)InChIKey: AIUNWFBYULOSRS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H10O4S/c11-8(12)6-15-9(10(13)14)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,11,12)(H,13,14)
(5)Std. InChIKey: AIUNWFBYULOSRS-UHFFFAOYSA-N

Product Name

2-(carboxymethylsulfanyl)-2-phenyl-acetic acid

Benzeneaceticacid, a-[(carboxymethyl)thio]- Specification

Related Products

Hot Products