Basic information
- Standard SMILES
NC(CSS(=O)(=O)O)=NCCOC12CC3CC(CC(C3)C1)C2- InChIKey
RJBKFTRMYQORAZ-UHFFFAOYSA-N- Molecular formula
- C14H24N2O4S2
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.11774925
Names & identifiers
- Preferred name
- Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(tricyclo(3.3.1.13,7)dec-1-yloxy)ethyl)amino)ethyl) ester
- IUPAC
- 1-[2-[(1-amino-2-sulfosulfanylethylidene)amino]ethoxy]adamantane
- English name
- Thiosulfuric acid hydrogen S-[2-[2-[(adamantan-1-yl)oxy]ethylamino]-2-iminoethyl] ester
- Molecular formula
- C14H24N2O4S2
- Molecular weight
- 348.48
Names & synonyms
WR 145040BRN 399758330771-84-7Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(tricyclo(3.3.1.13,7)dec-1-yloxy)ethyl)amino)ethyl) esterDTXSID50184788S-((N-(2-(1-Adamantyloxy)ethyl)amidino)methyl) hydrogen thiosulfateThiosulfuric acid, S-ester with N-(2-(1-adamantyloxy)ethyl)-2-mercaptoacetamidineRefChem:385381DTXCID90107279S-[(2Z)-2-({2-[(Adamantan-1-yl)oxy]ethyl}imino)-2-aminoethyl] hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-[2-[(adamantan-1-yl)oxy]ethylamino]-2-iminoethyl] esterThiosulfuric acid (H2S2O3), S-[2-imino-2-[[2-(tricyclo[3.3.1.13,7]dec-1-yloxy)ethyl]amino]ethyl] ester
Database identifiers
- CAS
30771-84-7- PubChem CID
- 64277
- DTXSID
DTXSID50184788- Nikkaji
- J41.688F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Density
- 1.599 · 1.599±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.69 · -4.690±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…