Chemical Properties of 4-(2-Isothiocyanatoethyl)phenol (CAS 60114-04-7)

4-(2-Isothiocyanatoethyl)phenol

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InChI
InChI=1S/C9H9NOS/c11-9-3-1-8(2-4-9)5-6-10-7-12/h1-4,11H,5-6H2
InChI Key
DDWUOCNNMSTNMY-UHFFFAOYSA-N
Formula
C9H9NOS
SMILES
Oc1ccc(CCN=C=S)cc1
Molecular Weight1
179.24
CAS
60114-04-7

Physical Properties

Property Value Unit Source
Δfgas 114.20 kJ/mol Joback Calculated Property
Δvap 61.36 kJ/mol Joback Calculated Property
log10WS -2.17 Crippen Calculated Property
logPoct/wat 2.038 Crippen Calculated Property
McVol 137.510 ml/mol McGowan Calculated Property
Pc 4005.77 kPa Joback Calculated Property
Inp [1805.90; 1805.90]   Show Hide
Inp 1805.90 NIST
Inp 1805.90 NIST
Tboil 658.57 K Joback Calculated Property
Tc 921.27 K Joback Calculated Property

Similar Compounds

Tyramine, N-formyl-. Phenol, 4-(2-aminoethyl)-. N-Acetyltyramine. Benzene, (2-isothiocyanatoethyl)-. Hordenine. 4-Methylphenethyl isothiocyanate. Phenol, 4-[2-(methylamino)ethyl]-. Phenol, 4-ethyl-. 3,4-Dimethoxyphenethyl isothiocyanate. (2-Isocyanatoethyl)benzene. 2-(4-Chlorophenethyl) isothiocyanate. Dopamine. Benzeneethanamine, 4-methoxy-. Phenol, 4-(2-phenylethyl)-. 4-Phenoxyphenethylamine.

Find more compounds similar to 4-(2-Isothiocyanatoethyl)phenol.

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