Pseudourea, 2-aminoethyl-2-thio-, hydrogen phosphate
Basic information
- CAS
63680-13-7- Standard SMILES
N=C(N)SCCN.O=P(O)(O)O- InChIKey
JTTUHLLDCAIGMB-UHFFFAOYSA-N- Molecular formula
- C3H12N3O4PS
- Average molar mass
- 217.19 g/mol
- Monoisotopic mass
- 217.02861404
Names & identifiers
- Preferred name
- Pseudourea, 2-aminoethyl-2-thio-, hydrogen phosphate
- IUPAC
- 2-aminoethyl carbamimidothioate;phosphoric acid
Names & synonyms
2-Aminoethylisothiouronium phosphateUSAF B-79Pseudourea, 2-thio-, 2-aminoethyl-, phosphatePseudourea, 2-aminoethyl-2-thio-, hydrogen phosphate63680-13-7RefChem:375761DTXCID60135564DTXSID60213073
Database identifiers
- CAS
63680-13-7- PubChem CID
- 3047516
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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