3-Methyl-1,2-dihydroacenaphtho[3,4-b]benzo[d]thiophene
Basic information
- CAS
15085-13-9- Standard SMILES
Cc1ccc2cc3c(sc4ccccc43)c3c2c1CC3- InChIKey
GPTGVTKVSRNLMS-UHFFFAOYSA-N- Molecular formula
- C19H14S
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.08162162
Names & identifiers
- Preferred name
- 3-Methyl-1,2-dihydroacenaphtho[3,4-b]benzo[d]thiophene
- IUPAC
- 15-methyl-3-thiapentacyclo[10.6.1.02,10.04,9.016,19]nonadeca-1(19),2(10),4,6,8,11,13,15-octaene
Names & synonyms
15085-13-93-methyl-1,2-dihydroacenaphtho[3,4-b]benzo[d]thiopheneNSC33402DTXSID90283789NSC-33402
Database identifiers
- CAS
15085-13-9- PubChem CID
- 234101
- DTXSID
DTXSID90283789
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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