Basic information
- CAS
40283-80-5- Standard SMILES
NC(CSS(=O)(=O)O)=NCCOCCO- InChIKey
FBKSTVYBFCTVIO-UHFFFAOYSA-N- Molecular formula
- C6H14N2O5S2
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.0344139
Names & identifiers
- Preferred name
- Methanethiol, N-(2-(2-hydroxyethoxy)ethyl)amidino-, hydrogen thiosulfate
- IUPAC
- 1-amino-1-[2-(2-hydroxyethoxy)ethylimino]-2-sulfosulfanylethane
- English name
- Thiosulfuric acid hydrogen S-[2-[[2-(2-hydroxyethoxy)ethyl]amino]-2-iminoethyl] ester
- Molecular formula
- C6H14N2O5S2
- Molecular weight
- 258.32
Names & synonyms
40283-80-5S-((N-(2-(2-Hydroxyethoxy)ethyl)amidino)methyl) hydrogen thiosulfateMethanethiol, N-(2-(2-hydroxyethoxy)ethyl)amidino-, hydrogen thiosulfateDTXSID80193287RefChem:352443DTXCID90115778s-[(2z)-2-amino-2-{[2-(2-hydroxyethoxy)ethyl]imino}ethyl] hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-[[2-(2-hydroxyethoxy)ethyl]amino]-2-iminoethyl] esterThiosulfuric acid (H2S2O3), S-[2-[[2-(2-hydroxyethoxy)ethyl]amino]-2-iminoethyl] ester
Database identifiers
- CAS
40283-80-5- PubChem CID
- 218162
- DTXSID
DTXSID80193287- Nikkaji
- J41.718A
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- -4.69 · -4.69±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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