Basic information
- CAS
90923-89-0- Standard SMILES
Cc1ccc2c(c1)C(=S)NC(=O)C2- InChIKey
HVTIMTZZXLZGMH-UHFFFAOYSA-N- Molecular formula
- C10H9NOS
- Average molar mass
- 191.25 g/mol
- Monoisotopic mass
- 191.04048508
Names & identifiers
- Preferred name
- 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one
- IUPAC
- 7-methyl-1-sulfanylidene-4H-isoquinolin-3-one
Names & synonyms
7-methyl-1-sulfanylidene-4H-isoquinolin-3-one90923-89-0NSC300567DTXSID90398100NSC-300567DS-0060197-Methyl-1-sulfanylidene-1,4-dihydroisoquinolin-3(2H)-one
Database identifiers
- CAS
90923-89-0- PubChem CID
- 3938522
- DTXSID
DTXSID90398100
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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