2,3-Bis(sulfanyl)propyl 4-methoxybenzoate
Basic information
- CAS
100059-16-3- Standard SMILES
COc1ccc(C(=O)OCC(S)CS)cc1- InChIKey
VBUREHHXKCMQJR-UHFFFAOYSA-N- Molecular formula
- C11H14O3S2
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.03843665
Names & identifiers
- Preferred name
- 2,3-Bis(sulfanyl)propyl 4-methoxybenzoate
- IUPAC
- 2,3-bis(sulfanyl)propyl 4-methoxybenzoate
Names & synonyms
2,3-bis(sulfanyl)propyl 4-methoxybenzoate100059-16-3DTXSID10905193RefChem:1059292DTXCID401334301BRL 651BRN 26954052,3-Dimercapto-1-propanol 1-p-anisate1-Propanol, 2,3-dimercapto-, 1-p-anisatep-ANISIC ACID, 2,3-DIMERCAPTOPROPYL ESTER2,3-Disulfanylpropyl 4-methoxybenzoate
Database identifiers
- CAS
100059-16-3- PubChem CID
- 57618
- DTXSID
DTXSID10905193
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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