3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione

C32H24O7S9 — CID 159552704

IUPAC3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione
SMILESCC1=C2OC(=O)C(C)=C2OC1=O.CC1=C2OC(=S)C(C)=C2OC1=S.CC1=C2SC(=S)C(C)=C2SC1=O.CC1=C2SC(=S)C(C)=C2SC1=S
InChIInChI=1S/C8H6O4.C8H6O2S2.C8H6OS3.C8H6S4/c1-3-5-6(12-7(3)9)4(2)8(10)11-5;1-3-5-6(10-7(3)11)4(2)8(12)9-5;1-3-5-6(11-7(3)9)4(2)8(10)12-5;1-3-5-6(12-7(3)9)4(2)8(10)11-5/h4*1-2H3
InChIKeyMFPAKRBXYUDNRJ-UHFFFAOYSA-N
MW809.14 g/mol
LogP9.46
Rot. Bonds

About 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione

3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione (PubChem CID 159552704) has the molecular formula C32H24O7S9 and a molecular weight of 809.14 g/mol. Its IUPAC name is 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione.

Molecular Properties

Compound Name3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione
PubChem CID159552704
Molecular FormulaC32H24O7S9
Molecular Weight809.14 g/mol
Exact Mass807.90
IUPAC Name3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione
SMILESCC1=C2OC(=O)C(C)=C2OC1=O.CC1=C2OC(=S)C(C)=C2OC1=S.CC1=C2SC(=S)C(C)=C2SC1=O.CC1=C2SC(=S)C(C)=C2SC1=S
InChIInChI=1S/C8H6O4.C8H6O2S2.C8H6OS3.C8H6S4/c1-3-5-6(12-7(3)9)4(2)8(10)11-5;1-3-5-6(10-7(3)11)4(2)8(12)9-5;1-3-5-6(11-7(3)9)4(2)8(10)12-5;1-3-5-6(12-7(3)9)4(2)8(10)11-5/h4*1-2H3
InChIKeyMFPAKRBXYUDNRJ-UHFFFAOYSA-N
XLogP9.46
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.14
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione?
The IUPAC name of 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione (CID 159552704) is 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione.
What is the SMILES notation for 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione?
The canonical SMILES for 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione is CC1=C2OC(=O)C(C)=C2OC1=O.CC1=C2OC(=S)C(C)=C2OC1=S.CC1=C2SC(=S)C(C)=C2SC1=O.CC1=C2SC(=S)C(C)=C2SC1=S.
What is the InChIKey of 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione?
The InChIKey is MFPAKRBXYUDNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C8H6O2S2.C8H6OS3.C8H6S4/c1-3-5-6(12-7(3)9)4(2)8(10)11-5;1-3-5-6(10-7(3)11)4(2)8(12)9-5;1-3-5-6(11-7(3)9)4(2)8(10)12-5;1-3-5-6(12-7(3)9)4(2)8(10)11-5/h4*1-2H3.
What are the key properties of 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione?
3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione has a molecular weight of 809.14 g/mol, XLogP of 9.46, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylfuro[3,2-b]furan-2,5-dione;3,6-dimethylfuro[3,2-b]furan-2,5-dithione;3,6-dimethyl-5-sulfanylidenethieno[3,2-b]thiophen-2-one;3,6-dimethylthieno[3,2-b]thiophene-2,5-dithione is sourced from PubChem (CID 159552704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).