Basic information
- CAS
38025-48-8- Standard SMILES
CC1(C)c2ccccc2N(C(=O)SCCN2CCCCC2)c2ccccc21- InChIKey
MUEIFLNWIQFGIU-UHFFFAOYSA-N- Molecular formula
- C23H28N2OS
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.19223469
Names & identifiers
- Preferred name
- 10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(1-piperidinyl)ethyl) ester
- IUPAC
- S-(2-piperidin-1-ylethyl) 9,9-dimethylacridine-10-carbothioate
- English name
- 10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(1-piperidinyl)et hyl) ester
- Molecular formula
- C23H28N2OS
- Molecular weight
- 380.55
Names & synonyms
38025-48-810(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(1-piperidinyl)ethyl) esterMo 1285S-(2-(1-Piperidinyl)ethyl) 9,9-dimethyl-10(9H)-acridinecarbothioateRefChem:235577S-(2-piperidin-1-ylethyl) 9,9-dimethylacridine-10-carbothioate10(9H)-Acridinecarbothioic acid, 9,9-dimethyl-, S-(2-(1-piperidinyl)et hyl) esters-[2-(piperidin-1-yl)ethyl] 9,9-dimethylacridine-10(9h)-carbothioateDTXSID70958988Reaxys ID: 1599194
Database identifiers
- CAS
38025-48-8- PubChem CID
- 217020
- DTXSID
DTXSID70958988
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 509.1 · 509.1±60.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 8.47 · 8.47±0.10(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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