Chemical Properties of Thiourea, N,N'-dimethyl-

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

104.18

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_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 a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• 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
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
IE	[8.08; 8.17]	eV
IE	8.17 ± 0.05	eV	NIST
IE	8.08 ± 0.03	eV	NIST
logPoct/wat	-0.290		Crippen Calculated Property
McVol	85.140	ml/mol	McGowan Calculated Property
Tfus	337.00 ± 0.10	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.43; 198.64]	J/mol×K	[438.62; 646.32]
Cp,gas	157.43	J/mol×K	438.62	Joback Calculated Property
Cp,gas	165.56	J/mol×K	473.24	Joback Calculated Property
Cp,gas	173.14	J/mol×K	507.85	Joback Calculated Property
Cp,gas	180.19	J/mol×K	542.47	Joback Calculated Property
Cp,gas	186.77	J/mol×K	577.08	Joback Calculated Property
Cp,gas	192.91	J/mol×K	611.70	Joback Calculated Property
Cp,gas	198.64	J/mol×K	646.32	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

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Temperature-dependent behavior of enthalpies and heat capacities of solution in water for thiourea and its N,N'-dimethylsubstituted derivative
• Hydration of Thiourea and Mono-, Di-, and Tetra-N-Alkylthioureas at Infinite Dilution: A Thermodynamic Study at a Temperature of 298.15 K
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.