1,2-Propanedithiol, 3-ethoxy-
Basic information
- CAS
90325-02-3- Standard SMILES
CCOCC(S)CS- InChIKey
LORHLLCTYJFTJA-UHFFFAOYSA-N- Molecular formula
- C5H12OS2
- Average molar mass
- 152.3 g/mol
- Monoisotopic mass
- 152.03295735
Names & identifiers
- Preferred name
- 1,2-Propanedithiol, 3-ethoxy-
- IUPAC
- 3-ethoxypropane-1,2-dithiol
Names & synonyms
1,2-Propanedithiol, 3-ethoxy-90325-02-3RefChem:10524513-Ethoxypropane-1,2-dithiol2,3-Dimercaptopropyl ethyl ether3-Ethoxy-1,2-propanedithiolNDR-293BRN 17343133-01-00-02341 (Beilstein Handbook Reference)SCHEMBL2567420DTXSID50920461
Database identifiers
- CAS
90325-02-3- PubChem CID
- 474193
- DTXSID
DTXSID50920461
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 11.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 49.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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