Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)
Basic information
- CAS
37018-32-9- Standard SMILES
O=S(=O)(O)SCCNC1C2CC3CC(C2)CC1C3- InChIKey
KQSCFSFNCZTFMB-UHFFFAOYSA-N- Molecular formula
- C12H21NO3S2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.09628588
Names & identifiers
- Preferred name
- Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)
- IUPAC
- 2-(2-sulfosulfanylethylamino)adamantane
Names & synonyms
BRN 2859549Ethanethiol, 2-(2-adamantylamino)-, hydrogen sulfate (ester)2-(2-Adamantylamino)ethanethiol hydrogen sulfate (ester)37018-32-9DTXSID40190515Thiosulfuric acid, S-(2-(tricyclo(3.3.1.1(sup 3,7))dec-2-ylamino)ethyl) esterRefChem:340350DTXCID80113006S-{2-[(Adamantan-2-yl)amino]ethyl} hydrogen sulfurothioate
Database identifiers
- CAS
37018-32-9- PubChem CID
- 64312
- DTXSID
DTXSID40190515
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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