2-[(4-Methylhepta-1,6-dien-4-yl)amino]ethane-1-thiol
Basic information
- CAS
111709-77-4- Standard SMILES
C=CCC(C)(CC=C)NCCS- InChIKey
QGJXIILPKAHTBG-UHFFFAOYSA-N- Molecular formula
- C10H19NS
- Average molar mass
- 185.33 g/mol
- Monoisotopic mass
- 185.12382078
Names & identifiers
- Preferred name
- 2-[(4-Methylhepta-1,6-dien-4-yl)amino]ethane-1-thiol
- IUPAC
- 2-(4-methylhepta-1,6-dien-4-ylamino)ethanethiol
Names & synonyms
111709-77-42-[(4-Methylhepta-1,6-dien-4-yl)amino]ethane-1-thiolDTXSID40548774
Database identifiers
- CAS
111709-77-4- PubChem CID
- 13763557
- DTXSID
DTXSID40548774
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…