Basic information
- CAS
31404-12-3- Standard SMILES
c1csc(C2SCCS2)c1- InChIKey
QSBDAIIMYXRMIJ-UHFFFAOYSA-N- Molecular formula
- C7H8S3
- Average molar mass
- 188.3 g/mol
- Monoisotopic mass
- 187.97881378
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-(2-thienyl)-
- IUPAC
- 2-thiophen-2-yl-1,3-dithiolane
- English name
- Thiophene-2-carbaldehyde ethane-1,2-diyl dithioacetal
- Molecular formula
- C7H8S3
- Molecular weight
- 188.33
Names & synonyms
1,3-DITHIOLANE, 2-(2-THIENYL)-2-(2-Thienyl)-1,3-dithiolaneBRN 4307768DTXSID00185326RefChem:219173DTXCID1010781731404-12-32-thiophen-2-yl-1,3-dithiolane2-(thiophen-2-yl)-1,3-dithiolane2-(1,3-dithiolan-2-yl)thiopheneHMS1789O01AKOS034680455
Show more names
2-thiophen-2-yl-[1,3]dithiolaneThiophene-2-carbaldehyde ethane-1,2-diyl dithioacetal
Z90663139
Database identifiers
- CAS
31404-12-3- PubChem CID
- 35792
- DTXSID
DTXSID00185326- Nikkaji
- J42.240A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 109
Chemistry & industry
Suppliers1 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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