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Basic Information
CAS No.: 41444-33-1
Name: 1-(2-Thienylthio)acetone
Article Data: 4
Molecular Structure:
Molecular Structure of 41444-33-1 (1-(2-Thienylthio)acetone)
Formula: C7H8 O S2
Molecular Weight: 172.272
Synonyms: methylthiomethyl 2-thienyl ketone;
Density: 1.22g/cm3
Melting Point: 112 - 114oC
Boiling Point: 260.8°C at 760 mmHg
Flash Point: 111.5°C
PSA: 70.61000
LogP: 2.42920
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Chemistry

Molecular Structure of 1-(2-Thienylthio)acetone (CAS No.41444-33-1):
 
Molecular Formula: C7H8OS2 
Molecular Weight: 172.2678
CAS No: 41444-33-1
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 70.61 Å2
Index of Refraction: 1.582
Molar Refractivity: 46.91 cm3
Molar Volume: 140.4 cm3
Surface Tension: 46.1 dyne/cm
Density: 1.22 g/cm3
Flash Point: 111.5 °C
Enthalpy of Vaporization: 49.85 kJ/mol
Boiling Point: 260.8 °C at 760 mmHg
Vapour Pressure: 0.012 mmHg at 25°C
InChI: InChI=1/C7H8OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKey: YZNDRLAITXPMSG-UHFFFAOYAD
Std. InChI: InChI=1S/C7H8OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4H,5H2,1H3
Std. InChIKey: YZNDRLAITXPMSG-UHFFFAOYSA-N

Specification

   1-(2-Thienylthio)acetone (CAS No.41444-33-1), its synonyms are (2-Thienylthio)acetone ; (Thien-2-ylthio)acetone ; 1-(thien-2-ylthio)acetone