Basic information
- CAS
111709-61-6- Standard SMILES
CC(C)(C)CC(C)(C)NCCS- InChIKey
IBTNHWSMPNZLFU-UHFFFAOYSA-N- Molecular formula
- C10H23NS
- Average molar mass
- 189.36 g/mol
- Monoisotopic mass
- 189.15512091
Names & identifiers
- Preferred name
- 2-[(2,4,4-Trimethylpentan-2-yl)amino]ethane-1-thiol
- IUPAC
- 2-(2,4,4-trimethylpentan-2-ylamino)ethanethiol
Names & synonyms
111709-61-62-[(2,4,4-Trimethylpentan-2-yl)amino]ethane-1-thiolDTXSID20548772
Database identifiers
- CAS
111709-61-6- PubChem CID
- 13763532
- DTXSID
DTXSID20548772
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…