Structural Formula Vector Image
Title: Cheirolin
CAS Registry Number: 505-34-0
CAS Name: 1-Isothiocyanato-3-(methylsulfonyl)propane
Additional Names: isothiocyanic acid 3-(methylsulfonyl)propyl ester; g-isothiocyanopropyl methyl sulfone; methylpropylsulfone mustard oil
Molecular Formula: C5H9NO2S2
Molecular Weight: 179.26
Percent Composition: C 33.50%, H 5.06%, N 7.81%, O 17.85%, S 35.77%
Line Formula: CH3SO2(CH2)3NCS
Literature References: From seed of Cheiranthus cheiri L., Cruciferae: Wagner, Chem. Ztg. 32, 76 (1908); Schneider, Ber. 41, 4466 (1909); 42, 3416 (1910). Structure: idem., Ann. 375, 207 (1910). Synthesis: Kjaer et al., Acta Chem. Scand. 7, 1370 (1953). Prepn by enzymatic hydrolysis of glucocheirolin: Kjaer, Jensen, ibid. 12, 1746 (1958).
Properties: Crystals from ether, mp 47-48°. bp3 200°. Slightly sol in water, ether; freely sol in alcohol, chloroform, ethyl acetate.
Melting point: mp 47-48°
Boiling point: bp3 200°
Status: This monograph has been retired and is no longer subject to revision or update.

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