benzo[g][1,3]benzodithiole;ethane

C15H20S2 — CID 54233828

IUPACbenzo[g][1,3]benzodithiole;ethane
SMILESCC.CC.c1ccc2c3c(ccc2c1)SCS3
InChIInChI=1S/C11H8S2.2C2H6/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;2*1-2/h1-6H,7H2;2*1-2H3
InChIKeyQLDFNQFFKMAFIF-UHFFFAOYSA-N
MW264.46 g/mol
LogP6.05
Rot. Bonds

About benzo[g][1,3]benzodithiole;ethane

benzo[g][1,3]benzodithiole;ethane (PubChem CID 54233828) has the molecular formula C15H20S2 and a molecular weight of 264.46 g/mol. Its IUPAC name is benzo[g][1,3]benzodithiole;ethane.

Molecular Properties

Compound Namebenzo[g][1,3]benzodithiole;ethane
PubChem CID54233828
Molecular FormulaC15H20S2
Molecular Weight264.46 g/mol
Exact Mass264.10
IUPAC Namebenzo[g][1,3]benzodithiole;ethane
SMILESCC.CC.c1ccc2c3c(ccc2c1)SCS3
InChIInChI=1S/C11H8S2.2C2H6/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;2*1-2/h1-6H,7H2;2*1-2H3
InChIKeyQLDFNQFFKMAFIF-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
naphtho[1,2-b]phenanthrene
CID 5889
butane;chrysene;ethane
CID 143984277
cyclopenta-1,3-diene;phenanthrene
CID 159923928
2,3-dihydrobenzo[g][1,2]benzothiazole
CID 150002534
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Frequently Asked Questions

What is the IUPAC name of benzo[g][1,3]benzodithiole;ethane?
The IUPAC name of benzo[g][1,3]benzodithiole;ethane (CID 54233828) is benzo[g][1,3]benzodithiole;ethane.
What is the SMILES notation for benzo[g][1,3]benzodithiole;ethane?
The canonical SMILES for benzo[g][1,3]benzodithiole;ethane is CC.CC.c1ccc2c3c(ccc2c1)SCS3.
What is the InChIKey of benzo[g][1,3]benzodithiole;ethane?
The InChIKey is QLDFNQFFKMAFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8S2.2C2H6/c1-2-4-9-8(3-1)5-6-10-11(9)13-7-12-10;2*1-2/h1-6H,7H2;2*1-2H3.
What are the key properties of benzo[g][1,3]benzodithiole;ethane?
benzo[g][1,3]benzodithiole;ethane has a molecular weight of 264.46 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[g][1,3]benzodithiole;ethane is sourced from PubChem (CID 54233828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).