Basic information
- CAS
594-03-6- Standard SMILES
CC(=S)S- InChIKey
ZEUUVJSRINKECZ-UHFFFAOYSA-N- Molecular formula
- C2H4S2
- Average molar mass
- 92.19 g/mol
- Monoisotopic mass
- 91.97544247
Names & identifiers
- Preferred name
- Ethane(dithioic)acid
- IUPAC
- ethanedithioic acid
- English name
- dithioacetic acid
- Molecular formula
- C2H4S2
- Molecular weight
- 92.18
Names & synonyms
Ethane(dithioic)acid594-03-6DTXSID30208118RefChem:1084337DTXCID50130609Dithioacetic acidEthane(dithioic) acidethanedithioic acidAcetic acid, dithio-CH3C(S)SHSCHEMBL412591SCHEMBL1275690
Show more names
SKL083Dithioaceticaciethane thiothiolic acidEthane(dithioic) acid (9CI)2-Mercapto-1-thia-1-propene
SCHEMBL19031555ZEUUVJSRINKECZ-UHFFFAOYSA-NEN300-6730378Q48937972
Database identifiers
- CAS
594-03-6- PubChem CID
- 68981
- DTXSID
DTXSID30208118- Nikkaji
- J119.461E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 31
Physicochemical properties
- Boiling point
- 89.8 °C · 89.8°C (rough estimate)
- Density
- 1.24 · 1.240
- refractive index
- 1.572 · 1.5720 (estimate)
- pka
- 2.07 · 2.07±0.60(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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