80058-93-1
1,3-DIISOPROPYL-2-ISOTHIOCYANATO-5-PHENOXYBENZENE
Name
1,3-DIISOPROPYL-2-ISOTHIOCYANATO-5-PHENOXYBENZENE
Formula
C19 H21 N O S
MolWeight
311.447
1Identification
【Name】
1,3-DIISOPROPYL-2-ISOTHIOCYANATO-5-PHENOXYBENZENE
【CAS】
【MDL】
MFCD20526552
【English Synonyms】
【Formula】
C19 H21 N O S
【MolWeight】
311.447
【Inchi】
InChI=1S/C19H21NOS/c1-13(2)17-10-16(21-15-8-6-5-7-9-15)11-18(14(3)4)19(17)20-12-22/h5-11,13-14H,1-4H3
【InChIKey】
InChIKey=ZZNJNNXQRSAGSP-UHFFFAOYSA-N
【SMILES】
CC(C)c1cc(cc(c1N=C=S)C(C)C)Oc2ccccc2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIISOPROPYL-2-ISOTHIOCYANATO-5-PHENOXYBENZENE.cml
Quick Release
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