Basic information
- CAS
6712-20-5- Standard SMILES
COc1ccc(C2SCCS2)cc1- InChIKey
JYWZOJISGOBZDP-UHFFFAOYSA-N- Molecular formula
- C10H12OS2
- Average molar mass
- 212.3 g/mol
- Monoisotopic mass
- 212.03295735
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-1,3-dithiolane
- IUPAC
- 2-(4-methoxyphenyl)-1,3-dithiolane
- English name
- 4-methoxyphenyl-1,3-dithiolane
- Molecular formula
- C10H12OS2
- Molecular weight
- 212.33
Names & synonyms
2-(4-Methoxyphenyl)-1,3-dithiolane4-Methoxyphenyl-1,3-dithiolane6712-20-5DTXSID40217418Para-methoxyphenyl-1,3-dithiolaneRefChem:909343DTXCID401399092-(p-Methoxyphenyl)-1,3-dithiolane1,3-Dithiolane, 2-(4-methoxyphenyl)-1,3-DITHIOLANE, 2-(p-METHOXYPHENYL)-BRN 0008563SCHEMBL10642813
Show more names
p-Anisaldehyde (ethane-1,2-diyl)dithioacetal4-Methoxybenzaldehyde ethane-1,2-diyldithioacetal4-Methoxybenzaldehyde (ethane-1,2-diyl)dithioacetal
2-(4'-Methoxyphenyl)-1,3-dithiolane2-(4-Methoxyphenyl)-1,3-dithiolane #G47249
Database identifiers
- CAS
6712-20-5- PubChem CID
- 23175
- DTXSID
DTXSID40217418- Nikkaji
- J91.171B
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
- 149
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 140 °C · 140 °C(Press: 2 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
3 records
Compound notes
Loading…