Basic information
- CAS
40770-86-3- Standard SMILES
COc1cc(OC)c(C2SCCS2)c(OC)c1- InChIKey
FEAVSZFZLRRONC-UHFFFAOYSA-N- Molecular formula
- C12H16O3S2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.05408672
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(2,4,6-trimethoxyphenyl)-
- IUPAC
- 2-(2,4,6-trimethoxyphenyl)-1,3-dithiolane
- English name
- 2-(2,4,6-trimethoxyphenyl)-1,3-dithiolane
- Molecular formula
- C12H16O3S2
- Molecular weight
- 272.38
Names & synonyms
2-(2,4,6-Trimethoxyphenyl)-1,3-dithiolane40770-86-31,3-DITHIOLANE, 2-(2,4,6-TRIMETHOXYPHENYL)-BRN 5559787DTXSID90193758RefChem:219168DTXCID30116249MLS000706085CHEMBL1717707HMS2553O22AKOS024321212NCGC00247222-01
Show more names
SMR000228361AL-182/11625014
Database identifiers
- CAS
40770-86-3- PubChem CID
- 38669
- DTXSID
DTXSID90193758- ChEMBL
CHEMBL1717707- Nikkaji
- J76.262H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…