Basic information
- CAS
6302-93-8- Standard SMILES
c1ccc(SC(Sc2ccccc2)c2ccc3c(c2)OCO3)cc1- InChIKey
CTZRGBQIQAQJIM-UHFFFAOYSA-N- Molecular formula
- C20H16O2S2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.0591721
Names & identifiers
- Preferred name
- 5-(Bis(phenylthio)methyl)-1,3-benzodioxole
- IUPAC
- 5-[bis(phenylsulfanyl)methyl]-1,3-benzodioxole
- English name
- 5-[bis(phenylsulfanyl)methyl]benzo[1,3]dioxole
- Molecular formula
- C20H16O2S2
- Molecular weight
- 352.47
Names & synonyms
NSC415506302-93-8NSC-415505-(bis(phenylthio)methyl)-1,3-benzodioxoleNCIStruc1_001186NCIStruc2_001285CHEMBL1602926SCHEMBL105320655-[BIS(PHENYLSULFANYL)METHYL]-2H-1,3-BENZODIOXOLEDTXSID30285363NCI41550CCG-36906
Show more names
1,3-Benzodioxole, 5-[bis(phenylthio)methyl]-5-[bis(phenylsulfanyl)methyl]benzo[1,3]dioxole
NCGC00013486NCGC00013486-02NCGC00096600-01NCI60_003942
Database identifiers
- CAS
6302-93-8- PubChem CID
- 237752
- DTXSID
DTXSID30285363- ChEMBL
CHEMBL1602926- Nikkaji
- J1.051.188G
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 360
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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