Thiourea, N,N-dimethyl-N'-((3aR,4S,5R,7S,7aR)-octahydro-4,7-methano-1H-inden-5-yl)-, rel-
Basic information
- CAS
72403-61-3- Standard SMILES
CN(C)C(=S)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1CCC[C@H]21- InChIKey
HNKLSLNEIRIASJ-LZQZFOIKSA-N- Molecular formula
- C13H22N2S
- Average molar mass
- 238.39 g/mol
- Monoisotopic mass
- 238.15036988
Names & identifiers
- Preferred name
- Thiourea, N,N-dimethyl-N'-((3aR,4S,5R,7S,7aR)-octahydro-4,7-methano-1H-inden-5-yl)-, rel-
- IUPAC
- 1,1-dimethyl-3-[(1R,2R,6R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]thiourea
Names & synonyms
exo-5-(3,3-Dimethyl-2-thioureido)tetrahydro-endo-dicyclopentadieneThiourea, N,N-dimethyl-N'-((3aR,4S,5R,7S,7aR)-octahydro-4,7-methano-1H-inden-5-yl)-, rel-72403-61-3
Database identifiers
- CAS
72403-61-3- PubChem CID
- 3085808
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiourea, N,N-dimethyl-N'-[(3aR,4S,5R,7S,7aR)-octahydro-4,7-methano-1H-inden-5-yl]-, rel-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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