Basic information
- CAS
22059-33-2- Standard SMILES
CN=C(N)NCCSS(=O)(=O)O- InChIKey
NCRVPKSUUBCYGU-UHFFFAOYSA-N- Molecular formula
- C4H11N3O3S2
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.02418321
Names & identifiers
- Preferred name
- Thiosulfuric acid (H2S2O3), S-(2-((imino(methylamino)methyl)amino)ethyl) ester
- IUPAC
- 1-[(N'-methylcarbamimidoyl)amino]-2-sulfosulfanylethane
- English name
- Thiosulfuric acid hydrogen S-[2-[[imino(methylamino)methyl]amino]ethyl] ester
- Molecular formula
- C4H11N3O3S2
- Molecular weight
- 213.28
Names & synonyms
22059-33-2RefChem:1100039Thiosulfuric acid (H2S2O3), S-(2-((imino(methylamino)methyl)amino)ethyl) ester2-(3-Methyl)guanidinoethanethiol hydrogen sulfate (ester)BRN 3051077BRN 30510822-(1-Methyl)guanidinoethanethiol hydrogen sulfate (ester)DTXSID50944682Ethanethiol, 2-(1-methyl)guanidino-, hydrogen sulfate (ester)Ethanethiol, 2-(3-methyl)guanidino-, hydrogen sulfate (ester)S-[2-(N'-Methylcarbamimidamido)ethyl] hydrogen sulfurothioateS-{2-[(N-Methylcarbamimidoyl)amino]ethyl} hydrogen sulfurothioate
Show more names
Thiosulfuric acid hydrogen S-[2-[[imino(methylamino)methyl]amino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-[[imino(methylamino)methyl]amino]ethyl] ester
22059-36-5
Database identifiers
- CAS
22059-33-2、22059-36-5- PubChem CID
- 90722
- DTXSID
DTXSID50944682- Nikkaji
- J49.769J
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- -4.28 · -4.28±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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