Basic information
- CAS
85102-57-4- Standard SMILES
CC1(c2cccs2)SCCS1- InChIKey
XQWUOXJGSSBQTH-UHFFFAOYSA-N- Molecular formula
- C8H10S3
- Average molar mass
- 202.4 g/mol
- Monoisotopic mass
- 201.99446384
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-methyl-2-(2-thienyl)-
- IUPAC
- 2-methyl-2-thiophen-2-yl-1,3-dithiolane
Names & synonyms
2-Methyl-2-(2-thienyl)-1,3-dithiolane85102-57-41,3-DITHIOLANE, 2-METHYL-2-(2-THIENYL)-DTXSID00234222RefChem:219191DTXCID001567132-methyl-2-(thiophen-2-yl)-1,3-dithiolane
Database identifiers
- CAS
85102-57-4- PubChem CID
- 55306
- DTXSID
DTXSID00234222- Nikkaji
- J91.186K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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