Basic information
- CAS
281-25-4- Standard SMILES
C1C2CC3CC1CC(C2)S3- InChIKey
NOBCRSKNBOQNEL-UHFFFAOYSA-N- Molecular formula
- C9H14S
- Average molar mass
- 154.27 g/mol
- Monoisotopic mass
- 154.08162162
Names & identifiers
- Preferred name
- 2-Thiaadamantane
- IUPAC
- 2-thiatricyclo[3.3.1.13,7]decane
- English name
- 2-Thiatricyclo[3.3.1.13,7]decane
- Molecular formula
- C9H14S
- Molecular weight
- 154.27
Names & synonyms
2-Thiaadamantane2-Thiatricyclo(3.3.1.1(3,7))decane281-25-42-thiatricyclo[3.3.1.1~3,7~]decane2-Thiatricyclo[3.3.1.1(3,7)]decane2-Thiatricyclo[3.3.1.13,7]decaneSCHEMBL28871117DTXSID00182375NOBCRSKNBOQNEL-UHFFFAOYSA-N2-Thiatricyclo-[3.3.1.1<3,7>]decaneInChI=1/C9H14S/c1-6-2-8-4-7(1)5-9(3-6)10-8/h6-9H,1-5H
Database identifiers
- CAS
281-25-4- PubChem CID
- 136105
- DTXSID
DTXSID00182375- Nikkaji
- J114.071J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…