7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol

C12H10S4 — CID 89304573

IUPAC7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol
SMILESSC1=C(S)Sc2cc3c(cc2S1)=CCCC=3
InChIInChI=1S/C12H10S4/c13-11-12(14)16-10-6-8-4-2-1-3-7(8)5-9(10)15-11/h3-6,13-14H,1-2H2
InChIKeyLVCMTRYKVRDOPI-UHFFFAOYSA-N
MW282.48 g/mol
LogP3.23
Rot. Bonds

About 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol

7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol (PubChem CID 89304573) has the molecular formula C12H10S4 and a molecular weight of 282.48 g/mol. Its IUPAC name is 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol.

Molecular Properties

Compound Name7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol
PubChem CID89304573
Molecular FormulaC12H10S4
Molecular Weight282.48 g/mol
Exact Mass281.97
IUPAC Name7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol
SMILESSC1=C(S)Sc2cc3c(cc2S1)=CCCC=3
InChIInChI=1S/C12H10S4/c13-11-12(14)16-10-6-8-4-2-1-3-7(8)5-9(10)15-11/h3-6,13-14H,1-2H2
InChIKeyLVCMTRYKVRDOPI-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol?
The IUPAC name of 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol (CID 89304573) is 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol.
What is the SMILES notation for 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol?
The canonical SMILES for 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol is SC1=C(S)Sc2cc3c(cc2S1)=CCCC=3.
What is the InChIKey of 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol?
The InChIKey is LVCMTRYKVRDOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S4/c13-11-12(14)16-10-6-8-4-2-1-3-7(8)5-9(10)15-11/h3-6,13-14H,1-2H2.
What are the key properties of 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol?
7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol has a molecular weight of 282.48 g/mol, XLogP of 3.23, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydrobenzo[g][1,4]benzodithiine-2,3-dithiol is sourced from PubChem (CID 89304573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).