Chemical Properties of N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)acetamide (CAS 634607-26-4)

InChI

InChI=1S/C12H17NOS/c1-9(13-10(2)14)8-11-4-6-12(15-3)7-5-11/h4-7,9H,8H2,1-3H3,(H,13,14)

InChI Key

BKTUHYUDOIRFKH-UHFFFAOYSA-N

Formula

C12H17NOS

SMILES

CSc1ccc(CC(C)N=C(C)O)cc1

Molecular Weight¹

223.33

CAS

634607-26-4

Other Names

• 4-methylthioamphetamine acetylated

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-109.16	kJ/mol	Joback Calculated Property
ΔvapH°	71.75	kJ/mol	Joback Calculated Property
log10WS	-3.37		Crippen Calculated Property
logPoct/wat	3.316		Crippen Calculated Property
McVol	184.080	ml/mol	McGowan Calculated Property
Pc	2410.00	kPa	Joback Calculated Property
Inp	[1700.00; 1700.00]
Inp	1700.00		NIST
Inp	1700.00		NIST
Tboil	742.70	K	Joback Calculated Property
Tc	966.71	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to N-(1-methyl-2-[4-(methylsulfanyl)phenyl]ethyl)acetamide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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