Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate
Basic information
- CAS
30161-06-9- Standard SMILES
COC(=O)CC1=C(C)CCc2cc3c(cc21)sc1ccccc13- InChIKey
QNJXGMKEJRBYDY-UHFFFAOYSA-N- Molecular formula
- C20H18O2S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.10275099
Names & identifiers
- Preferred name
- Methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate
- IUPAC
- methyl 2-(8-methyl-9,10-dihydronaphtho[7,6-b][1]benzothiol-7-yl)acetate
Names & synonyms
30161-06-9NSC108822DTXSID10952566NSC-108822Methyl (8-methyl-9,10-dihydrobenzo[b]naphtho[2,3-d]thiophen-7-yl)acetate
Database identifiers
- CAS
30161-06-9- PubChem CID
- 268558
- DTXSID
DTXSID10952566
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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