Chemical Properties of Hydrazinecarbothioamide (CAS 79-19-6)

InChI

InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)

InChI Key

BRWIZMBXBAOCCF-UHFFFAOYSA-N

Formula

CH5N3S

SMILES

NNC(N)=S

Molecular Weight¹

91.14

CAS

79-19-6

Other Names

• Semicarbazide, thio-
• Isothiosemicarbazide
• N-Aminothiourea
• Thiocarbamoylhydrazine
• Thiosemicarbazide
• TSC
• TSZ
• 1-Amino-2-Thiourea
• 1-Aminothiourea
• 2-Thiosemicarbazide
• Semicarbazide, 3-thio-
• USAF EK-1275
• Rcra waste number P116
• Thiocarbamylhydrazine
• NSC 2213

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation 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).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• Δ_subS : Entropy of sublimation at a given temperature (J/mol×K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-1735.10; -1712.43]	kJ/mol
ΔcH°solid	-1712.43 ± 0.54	kJ/mol	NIST
ΔcH°solid	-1735.10 ± 5.00	kJ/mol	NIST
ΔfH°gas	128.20 ± 1.60	kJ/mol	NIST
ΔfH°solid	[-23.85; 24.70]	kJ/mol
ΔfH°solid	-23.85	kJ/mol	NIST
ΔfH°solid	2.36 ± 0.59	kJ/mol	NIST
ΔfH°solid	24.70 ± 5.00	kJ/mol	NIST
ΔfusH°	18.44	kJ/mol	Joback Calculated Property
ΔsubH°	[125.80; 125.80]	kJ/mol
ΔsubH°	125.80 ± 1.50	kJ/mol	NIST
ΔsubH°	125.80 ± 1.50	kJ/mol	NIST
IE	8.34	eV	Relay (1.0) Calculated Property
log10WS	-1.08		Relay (1.0) Calculated Property
logPoct/wat	-1.307		Crippen Calculated Property
McVol	66.940	ml/mol	McGowan Calculated Property
S°solid,1 bar	[128.20; 128.20]	J/mol×K
S°solid,1 bar	128.20	J/mol×K	NIST
S°solid,1 bar	128.20	J/mol×K	NIST
Tfus	480.65 ± 2.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[130.71; 155.60]	J/mol×K	[487.75; 726.04]
Cp,gas	130.71	J/mol×K	487.75	Joback Calculated Property
Cp,gas	135.91	J/mol×K	527.46	Joback Calculated Property
Cp,gas	140.63	J/mol×K	567.18	Joback Calculated Property
Cp,gas	144.90	J/mol×K	606.89	Joback Calculated Property
Cp,gas	148.78	J/mol×K	646.61	Joback Calculated Property
Cp,gas	152.33	J/mol×K	686.32	Joback Calculated Property
Cp,gas	155.60	J/mol×K	726.04	Joback Calculated Property
Cp,solid	[110.90; 114.30]	J/mol×K	[298.15; 298.15]
Cp,solid	114.30	J/mol×K	298.15	NIST
Cp,solid	114.30	J/mol×K	298.15	NIST
Cp,solid	110.90	J/mol×K	298.15	NIST
ΔsubH	125.80	kJ/mol	298.15	NIST
ΔsubS	421.90	J/mol×K	298.15	NIST

Similar Compounds

Find more compounds similar to Hydrazinecarbothioamide.

Sources

• Cheméo Relay (1.0)
• 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
• 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.
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