Thiosulfuric acid (H2S2O3), S-(2-aminopropyl) ester
Basic information
- CAS
2403-32-9- Standard SMILES
CC(N)CSS(=O)(=O)O- InChIKey
CCOMYOOZKXVJLP-UHFFFAOYSA-N- Molecular formula
- C3H9NO3S2
- Average molar mass
- 171.2 g/mol
- Monoisotopic mass
- 171.00238515
Names & identifiers
- Preferred name
- Thiosulfuric acid (H2S2O3), S-(2-aminopropyl) ester
- IUPAC
- 2-amino-1-sulfosulfanylpropane
- English name
- Thiosulfuric acid S-(2-aminopropyl) ester
- Molecular formula
- C3H9NO3S2
- Molecular weight
- 171.24
Names & synonyms
2403-32-9RefChem:1100041Thiosulfuric acid (H2S2O3), S-(2-aminopropyl) esterBRN 2241986Thiosulfuric acid, S-(2-aminopropyl) ester2-Aminopropane-1-thiosulfuric acid1-Propanethiol, 2-amino-, hydrogen sulfate (ester)DTXSID60946879S-(2-Aminopropyl) hydrogen sulfurothioateThiosulfuric acid S-(2-aminopropyl) ester
Database identifiers
- CAS
2403-32-9- PubChem CID
- 200634
- DTXSID
DTXSID60946879- Nikkaji
- J90.369H
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 158
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Compound notes
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