[1,4]dithiino[2,3-g][1,4]benzodithiine

C10H6S4 — CID 14118307

IUPAC[1,4]dithiino[2,3-g][1,4]benzodithiine
SMILESc1csc2cc3sccsc3cc2s1
InChIInChI=1S/C10H6S4/c1-2-12-8-6-10-9(5-7(8)11-1)13-3-4-14-10/h1-6H
InChIKeyIJGLKUFZEXTZAL-UHFFFAOYSA-N
MW254.43 g/mol
LogP5.36
Rot. Bonds

About [1,4]dithiino[2,3-g][1,4]benzodithiine

[1,4]dithiino[2,3-g][1,4]benzodithiine (PubChem CID 14118307) has the molecular formula C10H6S4 and a molecular weight of 254.43 g/mol. Its IUPAC name is [1,4]dithiino[2,3-g][1,4]benzodithiine.

Molecular Properties

Compound Name[1,4]dithiino[2,3-g][1,4]benzodithiine
PubChem CID14118307
Molecular FormulaC10H6S4
Molecular Weight254.43 g/mol
Exact Mass253.94
IUPAC Name[1,4]dithiino[2,3-g][1,4]benzodithiine
SMILESc1csc2cc3sccsc3cc2s1
InChIInChI=1S/C10H6S4/c1-2-12-8-6-10-9(5-7(8)11-1)13-3-4-14-10/h1-6H
InChIKeyIJGLKUFZEXTZAL-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.43
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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hydron;thieno[3,2-b]thiophene
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2-thieno[3,2-b]thiophen-5-ylethanamine
CID 170868981
ethane;5-methylthieno[3,2-b]thiophene
CID 91311898
3-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 170868168
thieno[3,2-f][2]benzofuran
CID 121459085
2-methyl-N-(thieno[3,2-b]thiophen-5-ylmethyl)propan-2-amine
CID 80744863
N-(thieno[3,2-b]thiophen-5-ylmethyl)cyclopropanamine
CID 80744766
chloro(thieno[3,2-b]thiophen-5-yl)methanol
CID 123645090
3,7,18,22-tetrathiaoctacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene
CID 123242339
5-prop-1-ynylthieno[3,2-b]thiophene
CID 135040771
3-thieno[3,2-b]thiophen-5-yl-1,2-oxazol-5-amine
CID 80745588

Frequently Asked Questions

What is the IUPAC name of [1,4]dithiino[2,3-g][1,4]benzodithiine?
The IUPAC name of [1,4]dithiino[2,3-g][1,4]benzodithiine (CID 14118307) is [1,4]dithiino[2,3-g][1,4]benzodithiine.
What is the SMILES notation for [1,4]dithiino[2,3-g][1,4]benzodithiine?
The canonical SMILES for [1,4]dithiino[2,3-g][1,4]benzodithiine is c1csc2cc3sccsc3cc2s1.
What is the InChIKey of [1,4]dithiino[2,3-g][1,4]benzodithiine?
The InChIKey is IJGLKUFZEXTZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6S4/c1-2-12-8-6-10-9(5-7(8)11-1)13-3-4-14-10/h1-6H.
What are the key properties of [1,4]dithiino[2,3-g][1,4]benzodithiine?
[1,4]dithiino[2,3-g][1,4]benzodithiine has a molecular weight of 254.43 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4]dithiino[2,3-g][1,4]benzodithiine is sourced from PubChem (CID 14118307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).