Aceticacid, 2-[[(3-chlorophenyl)methyl]thio]- supplier

Name
(3-CHLOROBENZYL)THIO]ACETIC ACID
EINECS
CAS No. 34722-33-3
Density 1.36 g/cm³
Solubility
Melting Point
Formula C₉H₉ClO₂S
Boiling Point 356.2 °C at 760 mmHg
Molecular Weight 216.688
Flash Point 169.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, [[(3-chlorophenyl)methyl]thio]- (9CI);[(3-Chlorobenzyl)sulfanyl]acetic acid;[(3-Chlorobenzyl)thio]acetic acid;2-[(3-Chlorophenyl)methylthio]acetic acid;
PSA 62.60000
LogP 2.65780

Aceticacid, 2-[[(3-chlorophenyl)methyl]thio]- Specification

The Aceticacid, 2-[[(3-chlorophenyl)methyl]thio]-, with the CAS registry number 34722-33-3, is also known as [(3-Chlorobenzyl)thio]acetic acid. This chemical's molecular formula is C₉H₉ClO₂S and molecular weight is 216.69. What's more, its systematic name is 2-[(3-chlorophenyl)methylsulfanyl]acetic acid.

Physical properties of Aceticacid, 2-[[(3-chlorophenyl)methyl]thio]- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1.12; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.87; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.6 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 54.89 cm³; (15)Molar Volume: 159.3 cm³; (16)Surface Tension: 54 dyne/cm; (17)Density: 1.36 g/cm³; (18)Flash Point: 169.2 °C; (19)Enthalpy of Vaporization: 63.47 kJ/mol; (20)Boiling Point: 356.2 °C at 760 mmHg; (21)Vapour Pressure: 1.08E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)Cl)CSCC(=O)O
(2)InChI: InChI=1S/C9H9ClO2S/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12)
(3)InChIKey: GYICVPMYXZNAHY-UHFFFAOYSA-N

Product Name

(3-CHLOROBENZYL)THIO]ACETIC ACID

Aceticacid, 2-[[(3-chlorophenyl)methyl]thio]- Specification

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