Chemical Properties of .ALPHA.-isothiocyanato-.gamma.-butyrolactone (CAS 61315-63-7)

.ALPHA.-isothiocyanato-.gamma.-butyrolactone

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InChI
InChI=1S/C5H5NO2S/c7-5-4(6-3-9)1-2-8-5/h4H,1-2H2
InChI Key
MSBPBCHCQJBHNC-UHFFFAOYSA-N
Formula
C5H5NO2S
SMILES
O=C1OCCC1N=C=S
Molecular Weight1
143.16
CAS
61315-63-7
Sources

Physical Properties

Property Value Unit Source
Δfgas -71.68 kJ/mol Joback Calculated Property
Δvap 46.18 kJ/mol Joback Calculated Property
logPoct/wat 0.40 Crippen Calculated Property
Pc 4627.70 kPa Joback Calculated Property
Tboil 569.80 K Joback Calculated Property
Tc 839.98 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-N= 1
=C= 1
-S- 1
>C=O (ring) 1
>CH- (ring) 1
-CH2- (ring) 2

Similar Compounds

Dimethyl isothiocyanatosuccinate. Ethyl 2-isothiocyanatopropionate. 2-Isothiocyanato-succinic acid diethyl ester. 2-Isothiocyanato-3-methylbutyric acid ethyl ester. Methyl 2-isothiocyanato-3-methylbutyrate. 2-Isothiocyanato-hexanoic acid ethyl ester. L-Homoserine lactone, N-acetyl-. 2-Isothiocyanato-4-methylpentanoic acid ethyl ester. 2,6-diisothiocyanato-hexanoic acid ethyl ester. Methyl 2-isothiocyanato-4-(methylthio)butyrate. Diethyl 2-isothiocyanatoglutarate. 2-Isothiocyanato-3-methylpentanoic acid ethyl ester. 2-Isothiocyanato-2-methylpropionic acid ethyl ester. 2-Isothiocyanato-butyric acid ethyl ester. L-Homoserine lactone, N-trifluoroacetyl-.

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