II.A.1. (XV.A.) |
Other names |
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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 |
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InChI=1/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5) |
Property | Value | Uncertainty | units | Reference | Comment |
---|---|---|---|---|---|
Hfg(298.15K) | 128.20 | 1.60 | kJ mol-1 | webbook | |
Hfg(0K) | 1.60 | kJ mol-1 | webbook | ||
Entropy (298.15K) | J K-1 mol-1 | ||||
Integrated Heat Capacity (0 to 298.15K) | kJ mol-1 |
Mode Number | Symmetry | Frequency (cm-1) | Frequency Reference | Intensity (km mol-1) | Int. unc. | Intensity Reference | Comment |
---|
A | B | C | reference | comment |
---|---|---|---|---|
Product of moments of inertia | ||||
---|---|---|---|---|
amu3Å6 | 0 | gm3 cm6 |
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
Distances in Å
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 |
Energy | Degeneracy | squib |
---|---|---|
0 | 1 |
Ionization Energies (eV)
Ionization Energy | I.E. unc. | vertical I.E. | v.I.E. unc. | Electron Affinity | E.A. unc. | reference |
---|---|---|---|---|---|---|
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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