Hydrazinecarbothioamide

Formula: CH₅N₃S
Molecular weight: 91.135
IUPAC Standard InChI: InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
IUPAC Standard InChIKey: BRWIZMBXBAOCCF-UHFFFAOYSA-N
CAS Registry Number: 79-19-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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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
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Other data available:
- Mass spectrum (electron ionization)
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Gas phase thermochemistry data

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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	128.2 ± 1.6	kJ/mol	Ccr	Gomez and Sabbah, 1982

Condensed phase thermochemistry data

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Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	-23.85	kJ/mol	Ccb	Nurakhmeta, Beremzhanov, et al., 1984	ALS
Δ_fH°_solid	2.36 ± 0.59	kJ/mol	Ccr	Gomez and Sabbah, 1982	ALS
Δ_fH°_solid	24.7 ± 5.0	kJ/mol	Ccb	Sunner, 1957	Reanalyzed by Cox and Pilcher, 1970, Original value = 24. ± 2. kJ/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-1712.43 ± 0.54	kJ/mol	Ccr	Gomez and Sabbah, 1982	ALS
Δ_cH°_solid	-1735.1 ± 5.0	kJ/mol	Ccb	Sunner, 1957	ALS
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	128.2	J/mol*K	N/A	Nurachmetov, Beremzhanov, et al., 1985	crystaline, I phase; DH
S°_{solid,1 bar}	128.2	J/mol*K	N/A	Nurakhmetov, Beremzhanov, et al., 1984	DH

Constant pressure heat capacity of solid

C_p,solid (J/mol*K)	Temperature (K)	Reference	Comment
114.3	298.15	Nurachmetov, Beremzhanov, et al., 1985	crystaline, I phase; T = 8 to 330 K.; DH
114.3	298.15	Nurakhmetov, Beremzhanov, et al., 1984	T = 8 to 330 K.; DH
110.9	298.15	Torres Gomez and Sabbah, 1982	Cp data given as 1.217 J/g*K.; DH

Phase change data

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Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
T_fus	480.65	K	N/A	Popp, 1964	Uncertainty assigned by TRC = 2. K; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	125.8 ± 1.5	kJ/mol	C	Alfonso, Gomez, et al., 1982	AC
Δ_subH°	125.8 ± 1.5	kJ/mol	C	Gomez and Sabbah, 1982	ALS

Enthalpy of sublimation

Δ_subH (kJ/mol)	Temperature (K)	Reference	Comment
125.800	298.15	Torres Gomez and Sabbah, 1982	DH

Entropy of sublimation

Δ_subS (J/mol*K)	Temperature (K)	Reference	Comment
421.9	298.15	Torres Gomez and Sabbah, 1982	DH

Enthalpy of phase transition

ΔH_trs (kJ/mol)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
0.0700	268.9	crystaline, II	crystaline, I	Nurachmetov, Beremzhanov, et al., 1985	DH
0.0700	268.9	crystaline, II	crystaline, I	Nurakhmetov, Beremzhanov, et al., 1984	DH

Entropy of phase transition

ΔS_trs (J/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
0.250	268.9	crystaline, II	crystaline, I	Nurachmetov, Beremzhanov, et al., 1985	DH
0.250	268.9	crystaline, II	crystaline, I	Nurakhmetov, Beremzhanov, et al., 1984	DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Notes

Gomez and Sabbah, 1982
Gomez, L.A.T.; Sabbah, R., Thermodynamique de substances soufrees. IV. Etude thermochimique de la thiouree, de la thiosemicarbazide et de la thiocarbohydrazide, Thermochim. Acta, 1982, 57, 67-81. [all data]

Nurakhmeta, Beremzhanov, et al., 1984
Nurakhmeta, N.N.; Beremzhanov, B.A.; Abramova, G.V.; Lebedev, B.V., Thermodynamic properties of acetamide, thio-semicarbazide, and thiourea hydronitrate at (0-330) K, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 2, 460-462. [all data]

Sunner, 1957
Sunner, S., Reactions between hydrazine, thiocyanic acid and oxo-compounds. IV. Heats of combustion and derived data for some compounds related to thiosemicarbazide, Acta Chem. Scand., 1957, 11, 1766-1770. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Nurachmetov, Beremzhanov, et al., 1985
Nurachmetov, N.N.; Beremzhanov, B.A.; Abramova, G.V.; Lebedev, B.V., Thermodynamics of (thio)amides and their compounds with mineral acids at (0-330)K, Thermochim. Acta, 1985, 92, 329-332. [all data]

Nurakhmetov, Beremzhanov, et al., 1984
Nurakhmetov, N.N.; Beremzhanov, B.A.; Abramova, G.V.; Lebedev, B.V., Thermodynamic properties of acetamide, thiosemicarbazide, and thiourea hydronitrate at (0-330) K, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 2, 460-2. [all data]

Torres Gomez and Sabbah, 1982
Torres Gomez, L.A.F.; Sabbah, R., Thermodynamic de substances soufrees. IV. Etude thermochimique de las thiouree, de la thiosemicarbazide et de la thiocarbohydrazide, Thermochim. Acta, 1982, 57, 67-81. [all data]

Popp, 1964
Popp, F.D., Some Derivatives of 3-Bromobenzaldehyde, J. Chem. Eng. Data, 1964, 9, 381. [all data]

Alfonso, Gomez, et al., 1982
Alfonso, Luis; Gomez, Torres; Sabbah, Raphaël, Thermodynamique de substances soufrees. IV. Etude thermochimique de la thiouree, de la thiosemicarbazide et de la thiocarbohydrazide, Thermochimica Acta, 1982, 57, 1, 67-81, https://doi.org/10.1016/0040-6031(82)87024-X . [all data]

Notes

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Symbols used in this document:

C_p,solid	Constant pressure heat capacity of solid
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
T_fus	Fusion (melting) point
ΔH_trs	Enthalpy of phase transition
ΔS_trs	Entropy of phase transition
Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions
Δ_subH	Enthalpy of sublimation
Δ_subH°	Enthalpy of sublimation at standard conditions
Δ_subS	Entropy of sublimation

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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