Chemical Properties of Thiourea, N,N'-dimethyl- (CAS 534-13-4)

InChI

InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChI Key

VLCDUOXHFNUCKK-UHFFFAOYSA-N

Formula

C3H8N2S

SMILES

CNC(=S)NC

Molecular Weight¹

104.17

CAS

534-13-4

Other Names

• (CH3NH)2CS
• 1,3-Dimethyl-2-thiourea
• 1,3-dimethylthiourea
• Dimethylthiocarbamide
• N,N'-dimethylthiourea
• Urea, 1,3-dimethyl-2-thio-
• sym-Dimethylthiourea
• thiourea, 1,3-dimethyl-

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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
PAff	926.00	kJ/mol	NIST
BasG	895.10	kJ/mol	NIST
ΔfG°	270.22	kJ/mol	Joback Calculated Property
ΔfH°gas	148.19	kJ/mol	Joback Calculated Property
ΔfusH°	18.33	kJ/mol	Joback Calculated Property
ΔsubH°	[107.30; 112.00]	kJ/mol
ΔsubH°	112.00 ± 3.00	kJ/mol	NIST
ΔsubH°	107.30 ± 4.00	kJ/mol	NIST
ΔvapH°	41.87	kJ/mol	Joback Calculated Property
IE	[8.08; 8.17]	eV
IE	8.17 ± 0.05	eV	NIST
IE	8.08 ± 0.03	eV	NIST
log10WS	-0.80		Crippen Calculated Property
logPoct/wat	-0.290		Crippen Calculated Property
McVol	85.140	ml/mol	McGowan Calculated Property
Pc	5190.64	kPa	Joback Calculated Property
Tboil	438.42	K	Joback Calculated Property
Tc	646.02	K	Joback Calculated Property
Tfus	337.00 ± 0.10	K	NIST
Vc	0.309	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.38; 198.59]	J/mol×K	[438.42; 646.02]
Cp,gas	157.38	J/mol×K	438.42	Joback Calculated Property
Cp,gas	165.51	J/mol×K	473.02	Joback Calculated Property
Cp,gas	173.09	J/mol×K	507.62	Joback Calculated Property
Cp,gas	180.15	J/mol×K	542.22	Joback Calculated Property
Cp,gas	186.72	J/mol×K	576.82	Joback Calculated Property
Cp,gas	192.86	J/mol×K	611.42	Joback Calculated Property
Cp,gas	198.59	J/mol×K	646.02	Joback Calculated Property
ΔfusH	[12.70; 13.71]	kJ/mol	[336.90; 337.00]
ΔfusH	12.70	kJ/mol	336.90	NIST
ΔfusH	13.71	kJ/mol	337.00	NIST
ΔsubH	108.00 ± 3.00	kJ/mol	361.00	NIST
ΔvapH	93.00 ± 4.00	kJ/mol	358.50	NIST

Similar Compounds

Find more compounds similar to Thiourea, N,N'-dimethyl-.

Mixtures

• Water + Thiourea, N,N'-dimethyl-

Sources

• Crippen Method
• Crippen Method
• Apparent Molar Volumes and Expansibilities of Thiourea, 1,3-Dimethylurea, and 1,3-Dimethylthiourea in Water at Temperatures from T = (278.15 to 318.15) K and Atmospheric Pressure
• Joback Method
• McGowan Method
• NIST Webbook

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