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156472-94-5

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Basic Information
CAS No.: 156472-94-5
Name: Ethyl 3-mercaptobutyrate
Molecular Structure:
Molecular Structure of 156472-94-5 (Ethyl 3-mercaptobutyrate)
Formula: C6H12 O2 S
Molecular Weight: 148.22
Synonyms: Butanoicacid, 3-mercapto-, ethyl ester, (?à)-; Ethyl 3-mercaptobutanoate
Density: 1.018
Boiling Point: 189 ºC
Flash Point: 70 ºC
PSA: 65.10000
LogP: 1.25790
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Chemistry

Molecular Structure of Ethyl 3-mercaptobutyrate (CAS No.156472-94-5):
 
Molecular Formula: C6H12O2S
Molecular Weight: 148.2233
Systematic Name: Ethyl 3-sulfanylbutanoate
CAS No: 156472-94-5
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 65.1 Å2
Index of Refraction: 1.455
Molar Refractivity: 39.476 cm3
Molar Volume: 145.483 cm3
Surface Tension: 31.565 dyne/cm
Density: 1.019 g/cm3
Flash Point: 69.709 °C
Enthalpy of Vaporization: 42.574 kJ/mol
Boiling Point: 189.53 °C at 760 mmHg
Vapour Pressure: 0.567 mmHg at 25°C
InChI: InChI=1/C6H12O2S/c1-3-8-6(7)4-5(2)9/h5,9H,3-4H2,1-2H3
InChIKey: FPBCNQQYLDBWMH-UHFFFAOYAF
Std. InChI: InChI=1S/C6H12O2S/c1-3-8-6(7)4-5(2)9/h5,9H,3-4H2,1-2H3
Std. InChIKey: FPBCNQQYLDBWMH-UHFFFAOYSA-N

Specification

   Ethyl 3-mercaptobutyrate (CAS No.156472-94-5), it also can be called 3-Mercaptobutanoic acid ethyl ester ; Butanoic acid, 3-mercapto-, ethyl ester .