Basic information
- CAS
41117-90-2- Standard SMILES
O=C(CCCCC(=O)Sc1ccccc1)Sc1ccccc1- InChIKey
VESNZOIGQGPYFP-UHFFFAOYSA-N- Molecular formula
- C18H18O2S2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.07482216
Names & identifiers
- Preferred name
- S~1~,S~6~-Diphenyl hexanebis(thioate)
- IUPAC
- 1-S,6-S-diphenyl hexanebis(thioate)
Names & synonyms
MLS00263821041117-90-2NSC11361S~1~,S~6~-Diphenyl hexanebis(thioate)CHEMBL1726364SCHEMBL21249722DTXSID40961444HMS3089D22NSC-11361SMR001547699
Database identifiers
- CAS
41117-90-2- PubChem CID
- 223603
- DTXSID
DTXSID40961444- ChEMBL
CHEMBL1726364- Nikkaji
- J802.670J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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