Basic information
- CAS
62209-32-9- Standard SMILES
O=S(=O)(O)SCCNCC12CC3CC(CC(C3)C1)C2- InChIKey
WXJSPCDCXQQQBH-UHFFFAOYSA-N- Molecular formula
- C13H23NO3S2
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.11193594
Names & identifiers
- Preferred name
- Thiosulfuric acid, S-(2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl) ester
- IUPAC
- 1-[(2-sulfosulfanylethylamino)methyl]adamantane
Names & synonyms
BRN 5751714Thiosulfuric acid, S-(2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl) ester62209-32-9DTXSID50211265S-2-[1-Adamantylmethylamino]ethyl hydrogen thiosulfateS-2-(1-Adamantylmethylamino)ethyl hydrogen thiosulfateRefChem:385395DTXCID50133756WXJSPCDCXQQQBH-UHFFFAOYSA-NS-(2-(Adamantyl-1-methylamino)ethyl)thiosulfuric acidS-(2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)thiosulfateThiosulfuric acid (H2S2O3), S-(2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl) ester
Show more names
S-(2-[(1-Adamantylmethyl)amino]ethyl) hydrogen thiosulfate #S-(2-{[(Adamantan-1-yl)methyl]amino}ethyl) hydrogen sulfurothioate
Database identifiers
- CAS
62209-32-9- PubChem CID
- 64434
- DTXSID
DTXSID50211265
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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