Chemical Properties of 2-Butanone, 3-methylthio, PFBO # 2

2-Butanone, 3-methylthio, PFBO # 2

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InChI
InChI=1S/C12H12F5NOS/c1-5(6(2)20-3)18-19-4-7-8(13)10(15)12(17)11(16)9(7)14/h6H,4H2,1-3H3
InChI Key
IBRSSDPLIBYCFA-UHFFFAOYSA-N
Formula
C12H12F5NOS
SMILES
CSC(C)C(C)=NOCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
313.29
Sources

Physical Properties

Property Value Unit Source
Δfgas -1115.58 kJ/mol Joback Calculated Property
Δvap 56.04 kJ/mol Joback Calculated Property
logPoct/wat 4.03 Crippen Calculated Property
Pc 1692.12 kPa Joback Calculated Property
Tboil 689.21 K Joback Calculated Property
Tc 886.19 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 5
-N= 1
-CH2- 1
=C< (ring) 6
-S- 1
=C< 1
-CH3 3

Similar Compounds

2-Butanone, 3-methylthio, PFBO # 1. 3-Mercapto-2-butanone, PFBO # 1. 3-Mercapto-2-pentanone, PFBO # 2. 3-Mercapto-2-pentanone, PFBO # 1. Tetrahydrothiophen-3-one, 2-methyl, PFBO # 2. Tetrahydrothiophen-3-one, 2-methyl, PFBO # 1. Acetone, methylthio, PFBO # 2. Acetone, methylthio, PFBO # 1. 2-Butanone, PFBO # 1. 2-Butanone, 4-methylthio, PFBO # 1. 2-Butanone, 4-methylthio, PFBO # 2. 3-Mercapto-3-methyl-2-pentanone, PFBO # 1. Butanal, 3-methylthio, PFBO # 2. Butanal, 3-methylthio, PFBO # 1. Butanal, PFBO # 1.

Find more compounds similar to 2-Butanone, 3-methylthio, PFBO # 2.

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