Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Acetic acid, 2-(methylthio)-, butyl ester |
EINECS | 266-987-7 |
CAS No. | 67746-25-2 | Density | 1.004g/cm3 |
PSA | 51.60000 | LogP | 1.69270 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H14O2S | Boiling Point | 204.1°Cat760mmHg |
Molecular Weight | 162.253 | Flash Point | 79.1°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Acetic acid, (methylthio)-, butyl ester;butyl 2-methylsulfanylacetate;n-Butyl 2-methylthioacetate; |
Article Data | 2 |
This chemical is called Acetic acid, 2-(methylthio)-, butyl ester, and its systematic name is butyl (methylsulfanyl)acetate. With the molecular formula of C7H14O2S, its molecular weight is 162.25. The CAS registry number of this chemical is 67746-25-2.
Other characteristics of the Acetic acid, 2-(methylthio)-, butyl ester can be summarised as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.42; (6)ACD/BCF (pH 7.4): 40.42; (7)ACD/KOC (pH 5.5): 491.57; (8)ACD/KOC (pH 7.4): 491.57; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 51.6 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 44.25 cm3; (15)Molar Volume: 161.5 cm3; (16)Polarizability: 17.54×10-24cm3; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 79.1 °C; (20)Enthalpy of Vaporization: 44.04 kJ/mol; (21)Boiling Point: 204.1 °C at 760 mmHg; (22)Vapour Pressure: 0.268 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCCCC)CSC
2.InChI: InChI=1/C7H14O2S/c1-3-4-5-9-7(8)6-10-2/h3-6H2,1-2H3
3.InChIKey: QXJSYAFLDDZIQI-UHFFFAOYAU