Basic information
- CAS
40283-57-6- Standard SMILES
NC(CSS(=O)(=O)O)=NCCC1CCCCC1- InChIKey
ITVNCWVUKPYKMU-UHFFFAOYSA-N- Molecular formula
- C10H20N2O3S2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.0915345
Names & identifiers
- Preferred name
- Methanethiol, (N-cyclohexylethyl)amidino-, hydrogen thiosulfate
- IUPAC
- 2-[(1-amino-2-sulfosulfanylethylidene)amino]ethylcyclohexane
- English name
- Thiosulfuric acid hydrogen S-[2-[(2-cyclohexylethyl)amino]-2-iminoethyl] ester
- Molecular formula
- C10H20N2O3S2
- Molecular weight
- 280.41
Names & synonyms
S-((N-Cyclohexylethylamidino)methyl) hydrogen thiosulfateBRN 396919140283-57-6Methanethiol, (N-cyclohexylethyl)amidino-, hydrogen thiosulfateDTXSID70193276RefChem:352433DTXCID80115767s-{(2z)-2-amino-2-[(2-cyclohexylethyl)imino]ethyl} hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-[(2-cyclohexylethyl)amino]-2-iminoethyl] esterThiosulfuric acid (H2S2O3), S-[2-[(2-cyclohexylethyl)amino]-2-iminoethyl] ester
Database identifiers
- CAS
40283-57-6- PubChem CID
- 218152
- DTXSID
DTXSID70193276- Nikkaji
- J41.707F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- -4.68 · -4.68±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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