2,2'-({2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}azanediyl)di(ethane-1-thiol)
Basic information
- CAS
594873-95-7- Standard SMILES
COc1ccccc1N1CCN(CCN(CCS)CCS)CC1- InChIKey
KGCCLMIVOWMRLK-UHFFFAOYSA-N- Molecular formula
- C17H29N3OS2
- Average molar mass
- 355.6 g/mol
- Monoisotopic mass
- 355.1752049
Names & identifiers
- Preferred name
- 2,2'-({2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}azanediyl)di(ethane-1-thiol)
- IUPAC
- 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl-(2-sulfanylethyl)amino]ethanethiol
Names & synonyms
594873-95-7DTXSID007871272,2'-({2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}azanediyl)di(ethane-1-thiol)
Database identifiers
- CAS
594873-95-7- PubChem CID
- 71363612
- DTXSID
DTXSID00787127
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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