Basic information
- CAS
82436-19-9- Standard SMILES
COc1cccc(C2SCCS2)c1- InChIKey
VTSCPSVBOXKMAI-UHFFFAOYSA-N- Molecular formula
- C10H12OS2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.03295735
Names & identifiers
- Preferred name
- 2-(3-Methoxyphenyl)-1,3-dithiolane
- IUPAC
- 2-(3-methoxyphenyl)-1,3-dithiolane
- English name
- 1,3-DITHIOLANE, 2-(m-METHOXYPHENYL)-
- Molecular formula
- C10H12OS2
- Molecular weight
- 212.33
Names & synonyms
2-(3-methoxyphenyl)-1,3-dithiolane82436-19-91,3-DITHIOLANE, 2-(m-METHOXYPHENYL)-DTXSID80231739RefChem:1061097DTXCID60154230BRN 55175672-(m-Methoxyphenyl)-1,3-dithiolaneSCHEMBL16597324HDA43619AKOS03348925610.14272/VTSCPSVBOXKMAI-UHFFFAOYSA-N
Show more names
1,3-Dithiolane, 2-(3-methoxyphenyl)-
EN300-130662G53848doi:10.14272/VTSCPSVBOXKMAI-UHFFFAOYSA-NZ1269169212
Database identifiers
- CAS
82436-19-9- PubChem CID
- 54874
- DTXSID
DTXSID80231739- Nikkaji
- J91.169K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…