Chemical Properties of Noxytiolin (CAS 15599-39-0)

InChI

InChI=1S/C3H8N2OS/c1-4-3(7)5-2-6/h6H,2H2,1H3,(H2,4,5,7)

InChI Key

JLMHZVYLAQPMOZ-UHFFFAOYSA-N

Formula

C3H8N2OS

SMILES

CNC(=S)NCO

Molecular Weight¹

120.17

CAS

15599-39-0

Other Names

• Thiourea, N-(hydroxymethyl)-N'-methyl-
• Urea, 1-(hydroxymethyl)-3-methyl-2-thio-
• Gynaflex
• N-(Hydroxymethyl)-N'-methylthiourea
• 1-(Hydroxymethyl)-3-methyl-2-thiourea
• Noxyflex S
• Noxythiolin
• Noxythioline
• Noxytioline

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6515		Relay (1.0) Calculated Property
ΔfG°	133.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-156.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.42	kJ/mol	Joback Calculated Property
ΔvapH°	99.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.15	eV	Relay (1.0) Calculated Property
log10WS	-0.93		Relay (1.0) Calculated Property
logPoct/wat	-0.970		Crippen Calculated Property
McVol	91.010	ml/mol	McGowan Calculated Property
Pc	5953.74	kPa	Joback Calculated Property
Inp	[2370.00; 2370.00]
Inp	2370.00		NIST
Inp	2370.00		NIST
Tboil	542.97	K	Relay (1.0) Calculated Property
Tc	822.60	K	Relay (1.0) Calculated Property
Tfus	382.83	K	Relay (1.0) Calculated Property
Vc	0.301	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.06; 228.15]	J/mol×K	[530.60; 725.78]
Cp,gas	194.06	J/mol×K	530.60	Joback Calculated Property
Cp,gas	200.71	J/mol×K	563.13	Joback Calculated Property
Cp,gas	206.93	J/mol×K	595.66	Joback Calculated Property
Cp,gas	212.75	J/mol×K	628.19	Joback Calculated Property
Cp,gas	218.21	J/mol×K	660.72	Joback Calculated Property
Cp,gas	223.33	J/mol×K	693.25	Joback Calculated Property
Cp,gas	228.15	J/mol×K	725.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Noxytiolin.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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