Benzene, 1,1'-[1,2-ethynediylbis(thiomethylene)]bis[4-methoxy-
Basic information
- CAS
210626-00-9- Standard SMILES
COc1ccc(CSC#CSCc2ccc(OC)cc2)cc1- InChIKey
BIGYPGOJCURKBG-UHFFFAOYSA-N- Molecular formula
- C18H18O2S2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.07482216
Names & identifiers
- Preferred name
- Benzene, 1,1'-[1,2-ethynediylbis(thiomethylene)]bis[4-methoxy-
- IUPAC
- 1-methoxy-4-[2-[(4-methoxyphenyl)methylsulfanyl]ethynylsulfanylmethyl]benzene
Names & synonyms
210626-00-9Benzene, 1,1'-[1,2-ethynediylbis(thiomethylene)]bis[4-methoxy-DTXSID604418991,1'-[Ethyne-1,2-diylbis(sulfanediylmethylene)]bis(4-methoxybenzene)
Database identifiers
- CAS
210626-00-9- PubChem CID
- 10568447
- DTXSID
DTXSID60441899- Nikkaji
- J1.869.206F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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