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Name |
Acetic acid,2-[(2-methylphenyl)thio]- |
EINECS | N/A |
CAS No. | 18619-15-3 | Density | 1.23 g/cm3 |
PSA | 65.43000 | LogP | 0.83700 |
Solubility | N/A | Melting Point |
107-108 °C |
Formula | C9H10O2S | Boiling Point | 313.8 °C at 760 mmHg |
Molecular Weight | 182.243 | Flash Point | 143.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, (o-tolylthio)- (6CI,7CI,8CI);Acetic acid, [(2-methylphenyl)thio]- (9CI);(2-Methylphenyl)thioacetic acid;(2-Tolylthio)acetic acid;(o-Methylphenyl)thioacetic acid; |
Article Data | 5 |
The Acetic acid,2-[(2-methylphenyl)thio]-, with the CAS registry number 18619-15-3, is also known as ZINC00343062. This chemical's molecular formula is C9H10O2S and molecular weight is 182.2395. Its IUPAC name is called 2-(2-methylphenyl)sulfanylacetate.
Physical properties of Acetic acid,2-[(2-methylphenyl)thio]-: (1)ACD/LogP: 2.34; (2)ACD/LogD (pH 5.5): 0.49; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 6.39; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 50.29 cm3; (12)Molar Volume: 147.7 cm3; (13)Surface Tension: 51.9 dyne/cm; (14)Density: 1.23 g/cm3; (15)Flash Point: 143.6 °C; (16)Enthalpy of Vaporization: 58.59 kJ/mol; (17)Boiling Point: 313.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000206 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC=C1SCC(=O)[O-]
(2)InChI: InChI=1S/C9H10O2S/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1
(3)InChIKey: VTRSJSNKSMEVPO-UHFFFAOYSA-M