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Basic information
- CAS
14013-30-0- Standard SMILES
CN(C)CCSS(=O)(=O)O- InChIKey
RRJZGRCYRQRMEO-UHFFFAOYSA-N- Molecular formula
- C4H11NO3S2
- Average molar mass
- 185.3 g/mol
- Monoisotopic mass
- 185.01803556
Names & identifiers
- Preferred name
- Dimethylaminoethylthiosulfuric acid
- IUPAC
- 1-(dimethylamino)-2-sulfosulfanylethane
Names & synonyms
14013-30-0RefChem:1083718Dimethylaminoethylthiosulfuric acidDimethylaminoethanethiol S-sulfateS-2-(dimethylamino)ethyl thiosulfateNSC108225CHEBI:53208S-[2-(dimethylamino)ethyl] hydrogen sulfurothioateNSC-108225S-[2-(dimethylamino)ethyl] hydrogen thiosulfateS-(2-(dimethylamino)ethyl) hydrogen thiosulfateNSC 108225
Show more names
1-(dimethylamino)-2-sulfosulfanylethaneBRN 1767088Thiosulfuric acid, S-(2-(Dimethylamino)ethyl) esterEpitope ID:167836Thiosulfuric acid (H2S2O3), S-(2-(dimethylamino)ethyl) ester (7CI,8CI,9CI)NCIStruc1_000259NCIStruc2_000058CHEMBL1742201
Database identifiers
- CAS
14013-30-0- PubChem CID
- 97248
- DTXSID
DTXSID70161238- ChEMBL
CHEMBL1742201- ChEBI
CHEBI:53208
Properties
Computed structural propertiesFilling in
- XLogP
- -2.7
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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