Chemical Properties of 1-Isothiocyanato-6-(methylsulfinyl)hexane (CAS 4430-35-7)

1-Isothiocyanato-6-(methylsulfinyl)hexane

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InChI
InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3
InChI Key
XQZVZULJKVALRI-UHFFFAOYSA-N
Formula
C8H15NOS2
SMILES
CS(=O)CCCCCCN=C=S
Molecular Weight1
205.34
CAS
4430-35-7
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Physical Properties

Property Value Unit Source
Δfgas -130.12 kJ/mol Joback Calculated Property
Δvap 56.57 kJ/mol Joback Calculated Property
log10WS -1.74 Crippen Calculated Property
logPoct/wat 2.028 Crippen Calculated Property
McVol 163.530 ml/mol McGowan Calculated Property
Pc 2835.36 kPa Joback Calculated Property
Inp [2009.40; 2009.40]   Show Hide
Inp 2009.40 NIST
Inp 2009.40 NIST
Tboil 586.67 K Joback Calculated Property
Tc 799.93 K Joback Calculated Property

Similar Compounds

1-Isothiocyanato-7-(methylsulfinyl)heptane. Alyssin. Lesquerellin. (7-Isothiocyanatoheptyl)(methyl)sulfane. Jirsutin. Sulforaphane. 4-Methylthiobutyl isothiocyanate. Sulforaphane nitrile. Octane, 1,1'-sulfonylbis-. 2H-Thiopyran, tetrahydro-, 1-oxide. N-hexasulfonyl-2-propanone. 2H-Thiopyran, tetrahydro-, 1,1-dioxide. N-heptylsulfonylpropanone. 5-N-hexyl-2-methyl-delta^2-thiazoline. 2-hexyl-4-methyl-3-thiazoline.

Find more compounds similar to 1-Isothiocyanato-6-(methylsulfinyl)hexane.

Sources

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