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II.A.1. (XV.A.)

Listing of experimental data for CH5N3S (Hydrazinecarbothioamide)

Other names
1-Amino-2-Thiourea; 1-Aminothiourea; 2-Thiosemicarbazide; Hydrazinecarbothioamide; Isothiosemicarbazide; N-Aminothiourea; Rcra waste number P116; Semicarbazide, 3-thio-; Semicarbazide, thio-; Thiocarbamoylhydrazine; Thiocarbamylhydrazine; Thiosemicarbazide; TSC; TSZ; USAF ek-1275;
INChI
InChI=1/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 128.20 1.60 kJ mol-1 webbook
Hfg(0K) enthalpy of formation   1.60 kJ mol-1 webbook
Entropy (298.15K) entropy     J K-1 mol-1  
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity     kJ mol-1  
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment

Calculated vibrational frequencies for CH5N3S (Hydrazinecarbothioamide).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
       

Calculated rotational constants for CH5N3S (Hydrazinecarbothioamide).

Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6

Geometric Data
picture of Hydrazinecarbothioamide

Point Group C1

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees
Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for CH5N3S (Hydrazinecarbothioamide).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-N 5
C-N 2
C=S 1
N-N 1

Connectivity
Atom 1 Atom 2
H1 N2
N2 C4
N2 N10
S3 C4
C4 N7
H5 N7
H6 N7
H8 N10
H9 N10

Electronic energy levels (cm-1)
EnergyDegeneracysquib
0 1  

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. Electron Affinity E.A. unc. reference
             

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for CH5N3S (Hydrazinecarbothioamide).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for CH5N3S (Hydrazinecarbothioamide).
References
squib reference
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

Got a better number? Please email us at cccbdb@nist.gov

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