3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide
Basic information
- CAS
1077-61-8- Standard SMILES
Cc1ccc2c(c1)CCCS2(=O)=O- InChIKey
WSZWAAAVGHPCNK-UHFFFAOYSA-N- Molecular formula
- C10H12O2S
- Average molar mass
- 196.27 g/mol
- Monoisotopic mass
- 196.05580079
Names & identifiers
- Preferred name
- 3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide
- IUPAC
- 6-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
- English name
- 3,4-dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide
- Molecular formula
- C10H12O2S
- Molecular weight
- 196.27
Names & synonyms
3,4-Dihydro-6-methyl-2H-1-benzothiopyran 1,1-dioxide1077-61-86-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxideEINECS 214-075-4Y9FUH2X9X2SCHEMBL13776031SCHEMBL30489095DTXSID20148211WSZWAAAVGHPCNK-UHFFFAOYSA-NDB-240766NS000234762H-1-Benzothiopyran, 3,4-dihydro-6-methyl-, 1,1-dioxide
Show more names
6-Methyl-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
Database identifiers
- CAS
1077-61-8- PubChem CID
- 70647
- DTXSID
DTXSID20148211- UNII
- Y9FUH2X9X2
- EC Number
- 214-075-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- FDA UNII
- 9 FUH2X9X2 · Y9FUH2X9X2
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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