Methanethiol, N-(6-hydroxyhexyl)amidino-, hydrogen thiosulfate
Basic information
- CAS
40283-79-2- Standard SMILES
NC(CSS(=O)(=O)O)=NCCCCCCO- InChIKey
SDOHGYUYKZFOOW-UHFFFAOYSA-N- Molecular formula
- C8H18N2O4S2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.07079941
Names & identifiers
- Preferred name
- Methanethiol, N-(6-hydroxyhexyl)amidino-, hydrogen thiosulfate
- IUPAC
- 1-[(1-amino-2-sulfosulfanylethylidene)amino]-6-hydroxyhexane
- English name
- Thiosulfuric acid hydrogen S-[2-[(6-hydroxyhexyl)amino]-2-iminoethyl] ester
- Molecular formula
- C8H18N2O4S2
- Molecular weight
- 270.37
Names & synonyms
S-((N-6-Hydroxyhexylamidino)methyl) hydrogen thiosulfate40283-79-2Methanethiol, N-(6-hydroxyhexyl)amidino-, hydrogen thiosulfateRefChem:352460DTXSID60960696S-{2-[(6-Hydroxyhexyl)amino]-2-iminoethyl} hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-[(6-hydroxyhexyl)amino]-2-iminoethyl] esterThiosulfuric acid (H2S2O3), S-[2-[(6-hydroxyhexyl)amino]-2-iminoethyl] ester
Database identifiers
- CAS
40283-79-2- PubChem CID
- 218161
- DTXSID
DTXSID60960696- Nikkaji
- J41.719J
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- -4.67 · -4.67±0.30(Predicted)
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Compound notes
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