Chemical Properties of N-Phenethyl O-methyl thiocarbamate (CAS 930585-96-9)

N-Phenethyl O-methyl thiocarbamate

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InChI
InChI=1S/C10H13NOS/c1-12-10(13)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,13)
InChI Key
SABSUMPVZBKPRQ-UHFFFAOYSA-N
Formula
C10H13NOS
SMILES
COC(S)=NCCc1ccccc1
Molecular Weight1
195.28
CAS
930585-96-9
Sources

Physical Properties

Property Value Unit Source
Δfgas -34.51 kJ/mol Joback Calculated Property
Δvap 52.67 kJ/mol Joback Calculated Property
logPoct/wat 2.16 Crippen Calculated Property
Pc 2770.08 kPa Joback Calculated Property
Tboil 616.72 K Joback Calculated Property
Tc 861.88 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< 1
-N= 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 2
-SH 1
-CH3 1

Similar Compounds

N-Phenethyl O-ethyl thiocarbamate. Methyl phenethylcarbamate. Phenethyl carbamic acid, ethyl ester. Acetamide, N-(2-phenylethyl)-. Benzene, (2-isothiocyanatoethyl)-. (2-Isocyanatoethyl)benzene. N-(2'-phenylethyl)propionamide. Tyramine, N-formyl-. 4-Methylphenethyl isothiocyanate. 2-Phenethylamine, N-dimethylaminomethylene-. N-Acetyltyramine. 2-Phenylethylammonium bromide. Benzeneethanamine. 2-Phenylethylammonium chloride. Acetamide, N-(«alpha»-methylphenethyl)-.

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