CID 230290
Basic information
- CAS
16170-88-0- Standard SMILES
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12.Cc1cc(O)c(C(C)C)cc1S(=O)(=O)O- InChIKey
RSTDJYGDTNRVHD-UHFFFAOYSA-N- Molecular formula
- C30H38N2O5S2
- Average molar mass
- 570.8 g/mol
- Monoisotopic mass
- 570.22221466
Names & identifiers
- Preferred name
- CID 230290
- IUPAC
- 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
- English name
- 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one, 4-hydroxy-2-m ethyl-5-propan-2-yl-benzenesulfonic acid
- Molecular formula
- C30H38N2O5S2
- Molecular weight
- 0
Names & synonyms
16170-88-0NSC24953DTXSID90282212NSC-249531-[2-(Diethylamino)ethylamino]-4-methylthioxanthen-9-one;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid4-Hydroxy-2-methyl-5-(propan-2-yl)benzene-1-sulfonic acid--1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one (1/1)4-Hydroxy-5-isopropyl-2-methylbenzenesulfonic acid - 1-{[2-(diethylamino)ethyl]amino}-4-methyl-9H-thioxanthen-9-one (1:1)1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one, 4-hydroxy-2-m ethyl-5-propan-2-yl-benzenesulfonic acid
Database identifiers
- CAS
16170-88-0- PubChem CID
- 230290
- DTXSID
DTXSID90282212
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…