Chemical Properties of Alyssin (CAS 646-23-1)

Alyssin

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InChI
InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3
InChI Key
IUUQPVQTAUKPPB-UHFFFAOYSA-N
Formula
C7H13NOS2
SMILES
CS(=O)CCCCCN=C=S
Molecular Weight1
191.31
CAS
646-23-1
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Physical Properties

Property Value Unit Source
Δfgas -109.48 kJ/mol Joback Calculated Property
Δvap 54.34 kJ/mol Joback Calculated Property
log10WS -1.32 Crippen Calculated Property
logPoct/wat 1.638 Crippen Calculated Property
McVol 149.440 ml/mol McGowan Calculated Property
Pc 3149.09 kPa Joback Calculated Property
Inp [1893.00; 1893.00]   Show Hide
Inp 1893.00 NIST
Inp 1893.00 NIST
Tboil 563.79 K Joback Calculated Property
Tc 780.74 K Joback Calculated Property

Similar Compounds

1-Isothiocyanato-6-(methylsulfinyl)hexane. 1-Isothiocyanato-7-(methylsulfinyl)heptane. Sulforaphane. Lesquerellin. (7-Isothiocyanatoheptyl)(methyl)sulfane. Jirsutin. 4-Methylthiobutyl isothiocyanate. Sulforaphane nitrile. 2H-Thiopyran, tetrahydro-, 1-oxide. 2H-Thiopyran, tetrahydro-, 1,1-dioxide. Octane, 1,1'-sulfonylbis-. N-hexasulfonyl-2-propanone. 1-N-pentylsulfonyl-3-bromo-2-propanone. N-heptylsulfonylpropanone. 5-N-hexyl-2-methyl-delta^2-thiazoline.

Find more compounds similar to Alyssin.

Sources

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