6,7-Dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-thione
Basic information
- CAS
332358-92-6- Standard SMILES
COc1cc2c(cc1OC)C(=S)NC1(CCCC1)C2- InChIKey
YSGDHIIQUUQLIY-UHFFFAOYSA-N- Molecular formula
- C15H19NO2S
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.11365002
Names & identifiers
- Preferred name
- 6,7-Dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-thione
- IUPAC
- 6,7-dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-thione
Names & synonyms
332358-92-66,7-dimethoxyspiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-thione6',7'-dimethoxy-2'H-spiro[cyclopentane-1,3'-isoquinoline]-1'(4'H)-thioneCBMicro_041274Oprea1_293729MLS000710800CHEMBL1483501DTXSID901325496HMS2656C03STL304622AKOS000671928SMR000280567
Show more names
BIM-0041247.P001EU-0007390ST50252041AG-690/13706502SR-01000456330SR-01000456330-16,7-dimethoxyspiro[2,3,4-trihydroisoquinoline-3,1'-cyclopentane]-1-thione6',7'-dimethoxy-2',4'-dihydro-1'H-spiro[cyclopentane-1,3'-isoquinoline]-1'-thione
Database identifiers
- CAS
332358-92-6- PubChem CID
- 765456
- DTXSID
DTXSID901325496- ChEMBL
CHEMBL1483501
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
Solubility5.5 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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