2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide

C16H16O4S2 — CID 44725832

IUPAC2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide
SMILESCc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1S2(=O)=O
InChIInChI=1S/C16H16O4S2/c1-9-5-13-14(6-10(9)2)22(19,20)16-8-12(4)11(3)7-15(16)21(13,17)18/h5-8H,1-4H3
InChIKeyFVIVVGPCLSNYQG-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.90
Rot. Bonds

About 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide

2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide (PubChem CID 44725832) has the molecular formula C16H16O4S2 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide.

Molecular Properties

Compound Name2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide
PubChem CID44725832
Molecular FormulaC16H16O4S2
Molecular Weight336.43 g/mol
Exact Mass336.05
IUPAC Name2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide
SMILESCc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1S2(=O)=O
InChIInChI=1S/C16H16O4S2/c1-9-5-13-14(6-10(9)2)22(19,20)16-8-12(4)11(3)7-15(16)21(13,17)18/h5-8H,1-4H3
InChIKeyFVIVVGPCLSNYQG-UHFFFAOYSA-N
XLogP2.90
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide?
The IUPAC name of 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide (CID 44725832) is 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide.
What is the SMILES notation for 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide?
The canonical SMILES for 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide is Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1S2(=O)=O.
What is the InChIKey of 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide?
The InChIKey is FVIVVGPCLSNYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S2/c1-9-5-13-14(6-10(9)2)22(19,20)16-8-12(4)11(3)7-15(16)21(13,17)18/h5-8H,1-4H3.
What are the key properties of 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide?
2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide has a molecular weight of 336.43 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetramethylthianthrene 5,5,10,10-tetraoxide is sourced from PubChem (CID 44725832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).