Basic information
- CAS
61947-22-6- Standard SMILES
CCC1=CSCC(C)S1- InChIKey
QPDHCNJVXROSPB-UHFFFAOYSA-N- Molecular formula
- C7H12S2
- Average molar mass
- 160.3 g/mol
- Monoisotopic mass
- 160.03804273
Names & identifiers
- Preferred name
- 6-Ethyl-2-methyl-2,3-dihydro-1,4-dithiine
- IUPAC
- 6-ethyl-2-methyl-2,3-dihydro-1,4-dithiine
Names & synonyms
6-Ethyl-2-methyl-2,3-dihydro-1,4-dithiine61947-22-6SCHEMBL11401802DTXSID10512982
Database identifiers
- CAS
61947-22-6- PubChem CID
- 12920060
- DTXSID
DTXSID10512982
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 118
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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