Basic information
- CAS
4039-24-1- Standard SMILES
CC(C)(N)CSS(=O)(=O)O- InChIKey
CKFRFNDDOPNLLB-UHFFFAOYSA-N- Molecular formula
- C4H11NO3S2
- Average molar mass
- 185.3 g/mol
- Monoisotopic mass
- 185.01803556
Names & identifiers
- Preferred name
- Propanethiol, 2-amino-2-methyl-, hydrogen sulfate (ester)
- IUPAC
- 2-amino-2-methyl-1-sulfosulfanylpropane
- English name
- Thiosulfuric acid S-(2-amino-2-methylpropyl) ester
- Molecular weight
- 0
Names & synonyms
4039-24-1WR 1488BRN 2325359Thiosulfuric acid, S-(2-amino-2-methylpropyl) esterPropanethiol, 2-amino-2-methyl-, hydrogen sulfate (ester)DTXSID00193380RefChem:374568DTXCID10115871S-Propylthiosulfuric acid, 2-amino-2-methyl-S-(2-amino-2-methylpropyl) hydrogen sulfurothioateThiosulfuric acid S-(2-amino-2-methylpropyl) ester
Database identifiers
- CAS
4039-24-1- PubChem CID
- 199334
- DTXSID
DTXSID00193380- Nikkaji
- J50.927B
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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