Basic information
- CAS
23228-74-2- Standard SMILES
NC(=O)NC(N)=S- InChIKey
YCLDXRHGQVDVJR-UHFFFAOYSA-N- Molecular formula
- C2H5N3OS
- Average molar mass
- 119.15 g/mol
- Monoisotopic mass
- 119.01533278
Names & identifiers
- Preferred name
- Thiobiuret
- IUPAC
- carbamothioylurea
- English name
- thiobiuret
- Molecular formula
- C2H5N3OS
- Molecular weight
- 119.1456
Names & synonyms
Thiobiuretcarbamothioylurea23228-74-2Thioimidodicarbonic diamide ((H2N)C(O)NHC(S)(NH2))2-ThiobiuretMonothiobiuretBiuret, thio-EINECS 245-504-3NSC174080AI3-63145Dicarbonimidothioic diamide2-Imidothiodicarbonic diamide
Show more names
1-Carbamoylthiourea
SCHEMBL395399SCHEMBL980816Urea, N-(aminothioxomethyl)-SCHEMBL4182933DTXSID80177800(H2-N)C(O)NHC(S)(NH2)AKOS006342697NSC 174080
Database identifiers
- CAS
23228-74-2- PubChem CID
- 3034336
- DTXSID
DTXSID80177800- EC Number
- 245-504-3
- Nikkaji
- J318.430G
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 187 · 187-189 °C
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- 9.01 · 9.01±0.70(Predicted)
Related reactions
3 records
Compound notes
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