3,7-Dithiatricyclo[3.3.2.01,5]decane
Basic information
- CAS
21533-69-7- Standard SMILES
C1CC23CSCC12CSC3- InChIKey
HPEXWFZEWWAJDS-UHFFFAOYSA-N- Molecular formula
- C8H12S2
- Average molar mass
- 172.3 g/mol
- Monoisotopic mass
- 172.03804273
Names & identifiers
- Preferred name
- 3,7-Dithiatricyclo[3.3.2.01,5]decane
- IUPAC
- 3,7-dithiatricyclo[3.3.2.01,5]decane
Names & synonyms
21533-69-73,7-dithiatricyclo[3.3.2.01,5]decaneNSC148985HPEXWFZEWWAJDS-UHFFFAOYSA-DTXSID90302141NSC-1489851H,3H,4H,6H-3a,6a-Ethanothieno[3,4-c]thiopheneInChI=1/C8H12S2/c1-2-8-5-9-3-7(1,8)4-10-6-8/h1-6H2
Database identifiers
- CAS
21533-69-7- PubChem CID
- 288241
- DTXSID
DTXSID90302141
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
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Related reactions
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Compound notes
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