Basic information
- CAS
37018-36-3- Standard SMILES
O=S1(=O)CCC(NCCSS(=O)(=O)O)CC1- InChIKey
IWVSFKONLPYAOW-UHFFFAOYSA-N- Molecular formula
- C7H15NO5S3
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.0112361
Names & identifiers
- Preferred name
- Thiosulfuric acid, S-(2-((tetrahydro-2H-thiopyran-4-yl)amino)ethyl) ester, S,S-dioxide
- IUPAC
- 1,1-dioxo-4-(2-sulfosulfanylethylamino)thiane
Names & synonyms
BRN 131947337018-36-3Thiosulfuric acid, S-(2-((tetrahydro-2H-thiopyran-4-yl)amino)ethyl) ester, S,S-dioxideDTXSID00190516S-(2-((Tetrahydro-2H-thiopyran-4-yl)amino)ethyl) thiosulfate S,S-dioxideNSC 141228RefChem:385394DTXCID40113007NSC141228NSC-141228S-{2-[(1,1-Dioxo-1lambda~6~-thian-4-yl)amino]ethyl} hydrogen sulfurothioate
Database identifiers
- CAS
37018-36-3- PubChem CID
- 97661
- DTXSID
DTXSID00190516
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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