Basic information
- CAS
98070-12-3- Standard SMILES
CC(=O)OCC(S)CS- InChIKey
JVYNLQQSMKTICB-UHFFFAOYSA-N- Molecular formula
- C5H10O2S2
- Average molar mass
- 166.3 g/mol
- Monoisotopic mass
- 166.01222156
Names & identifiers
- Preferred name
- 2,3-Dimercaptopropyl acetate
- IUPAC
- 2,3-bis(sulfanyl)propyl acetate
Names & synonyms
2,3-bis(sulfanyl)propyl acetate1-Propanol, 2,3-dimercapto-, 1-acetate2,3-Dimercaptopropyl acetate2,3-Disulfanylpropyl acetate98070-12-3NIOSH/AH0660000SCHEMBL11822833BRL 463DTXSID10875584NDR-2302,3-Dimercapto-1-propanol 1-acetateAcetic acid, 2,3-dimercaptopropyl ester
Show more names
AH06600000
Database identifiers
- CAS
98070-12-3- PubChem CID
- 474240
- DTXSID
DTXSID10875584
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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