Aminoethyldithioacetic acid
Basic information
- CAS
638-43-7- Standard SMILES
NCCSSCC(=O)O- InChIKey
BQRGTQZYMKFACX-UHFFFAOYSA-N- Molecular formula
- C4H9NO2S2
- Average molar mass
- 167.3 g/mol
- Monoisotopic mass
- 167.00747088
Overview
structure
Names & identifiers
- Preferred name
- Aminoethyldithioacetic acid
- IUPAC
- 2-(2-aminoethyldisulfanyl)acetic acid
- English name
- Acetic acid, 2-[(2-aminoethyl)dithio]-
- Molecular formula
- C4H9NO2S2
- Molecular weight
- 167.25
Names & synonyms
638-43-7Aminoethyldithioacetic acidDTXSID50213244RefChem:112034DTXCID501357352-(2-aminoethyldisulfanyl)acetic acid2-[(2-aminoethyl)disulfanyl]acetic acid2-((2-Aminoethyl)disulfanyl)acetic acidC4H9NO2S2Acetic acid, ((2-aminoethyl)dithio)-SCHEMBL11708636SCHEMBL12798150
Show more names
Acetic acid, 2-[(2-aminoethyl)dithio]-
[(2-AMINOETHYL)DISULFANYL]ACETIC ACID
Database identifiers
- CAS
638-43-7- PubChem CID
- 3036593
- DTXSID
DTXSID50213244
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 88.6
Physicochemical properties
- Boiling point
- 320.2 · 320.2±27.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.10(Predicted)
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Related reactions
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Compound notes
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