Basic information
- CAS
785035-84-9- Standard SMILES
CC1=NC2(O)c3ccccc3CC2S1- InChIKey
GJEBUBMPPAJVRY-UHFFFAOYSA-N- Molecular formula
- C11H11NOS
- Average molar mass
- 205.28 g/mol
- Monoisotopic mass
- 205.05613515
Names & identifiers
- Preferred name
- 2-Methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazol-8b-ol
- IUPAC
- 2-methyl-3a,4-dihydroindeno[1,2-d][1,3]thiazol-8b-ol
- English name
- 3aH-Indeno[1,2-d]thiazol-3a-ol,8,8a-dihydro-2-methyl-(9CI)
- Molecular formula
- C11H11NOS
- Molecular weight
- 205.28
Names & synonyms
3aH-Indeno[1,2-d]thiazol-3a-ol, 8,8a-dihydro-2-methyl-3aH-Indeno[1,2-d]thiazol-3a-ol,8,8a-dihydro-2-methyl-(9CI)
Database identifiers
- CAS
785035-84-9- PubChem CID
- 45096976
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 353.4 · 353.4±42.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 11.88 · 11.88±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…