Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((phenylmethyl)sulfinyl)-, 3,3-dioxide
Basic information
- CAS
125220-08-8- Standard SMILES
CC1=C2C(CCS2(=O)=O)C2(S(=O)Cc3ccccc3)C(=O)c3ccccc3C(=O)C2C1- InChIKey
VNNLTWNZHDGZPB-UHFFFAOYSA-N- Molecular formula
- C24H22O5S2
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.09086615
Names & identifiers
- Preferred name
- Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((phenylmethyl)sulfinyl)-, 3,3-dioxide
- IUPAC
- 11a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dione
Names & synonyms
BRN 4770944125220-08-8Anthra(2,1-b)thiophene-6,11-dione, 1,2,5,5a,11a,11b-hexahydro-4-methyl-11a-((phenylmethyl)sulfinyl)-, 3,3-dioxideRefChem:31970311a-benzylsulfinyl-4-methyl-3,3-dioxo-2,5,5a,11b-tetrahydro-1H-naphtho[3,2-e][1]benzothiole-6,11-dioneOprea1_549777DTXSID60925048AKOS02210436811a-(benzylsulfinyl)-4-methyl-1,5,5a,11b-tetrahydroanthra[2,1-b]thiophene-6,11(2H,11aH)-dione 3,3-dioxide4-Methyl-11a-(phenylmethanesulfinyl)-5,5a,11a,11b-tetrahydro-1H-3lambda~6~-anthra[2,1-b]thiophene-3,3,6,11(2H)-tetrone
Database identifiers
- CAS
125220-08-8- PubChem CID
- 3079337
- DTXSID
DTXSID60925048
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 953
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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