Basic information
- CAS
57292-30-5- Standard SMILES
CCNCCNc1ccc(CO)c2sc3cc(Cl)ccc3c(=O)c12- InChIKey
RRXVGQPWCPPZGO-UHFFFAOYSA-N- Molecular formula
- C18H19ClN2O2S
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.0855767
Names & identifiers
- Preferred name
- 9H-Thioxanthen-9-one, 6-chloro-1-((2-(ethylamino)ethyl)amino)-4-(hydroxymethyl)-
- IUPAC
- 6-chloro-1-[2-(ethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
Names & synonyms
SW 257292-30-5SW-29H-Thioxanthen-9-one, 6-chloro-1-((2-(ethylamino)ethyl)amino)-4-(hydroxymethyl)-6-chloro-1-[2-(ethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one6-Chloro-1-((2-(ethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-oneNSC-166383U8T58D35816-chloro-1-{[2-(ethylamino)ethyl]amino}-4-(hydroxymethyl)-9h-thioxanthen-9-oneUNII-U8T58D35819H-Thioxanthen-9-one, 6-chloro-1-[[2-(ethylamino)ethyl]amino]-4-(hydroxymethyl)-orb1695130
Show more names
SCHEMBL29375047DTXSID90205901NSC166383AKOS040754118NSC 166383T34754Q27290901
Database identifiers
- CAS
57292-30-5- PubChem CID
- 98799
- DTXSID
DTXSID90205901- UNII
- U8T58D3581
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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