4,5-dithiophen-2-yl-1,3-dithiol-2-one

C11H6OS4 — CID 15811354

IUPAC4,5-dithiophen-2-yl-1,3-dithiol-2-one
SMILESO=c1sc(-c2cccs2)c(-c2cccs2)s1
InChIInChI=1S/C11H6OS4/c12-11-15-9(7-3-1-5-13-7)10(16-11)8-4-2-6-14-8/h1-6H
InChIKeyBDBXVLAHAISXNV-UHFFFAOYSA-N
MW282.44 g/mol
LogP4.63
Rot. Bonds2

About 4,5-dithiophen-2-yl-1,3-dithiol-2-one

4,5-dithiophen-2-yl-1,3-dithiol-2-one (PubChem CID 15811354) has the molecular formula C11H6OS4 and a molecular weight of 282.44 g/mol. Its IUPAC name is 4,5-dithiophen-2-yl-1,3-dithiol-2-one.

Molecular Properties

Compound Name4,5-dithiophen-2-yl-1,3-dithiol-2-one
PubChem CID15811354
Molecular FormulaC11H6OS4
Molecular Weight282.44 g/mol
Exact Mass281.93
IUPAC Name4,5-dithiophen-2-yl-1,3-dithiol-2-one
SMILESO=c1sc(-c2cccs2)c(-c2cccs2)s1
InChIInChI=1S/C11H6OS4/c12-11-15-9(7-3-1-5-13-7)10(16-11)8-4-2-6-14-8/h1-6H
InChIKeyBDBXVLAHAISXNV-UHFFFAOYSA-N
XLogP4.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 69411648
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
thiophene;2-thiophen-2-ylthiophene
CID 158809122
(4-oxo-1,3-dithiophen-2-yl-5,6-dihydrocyclopenta[c]thiophen-6-yl)azanium chloride
CID 23656712
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954

Frequently Asked Questions

What is the IUPAC name of 4,5-dithiophen-2-yl-1,3-dithiol-2-one?
The IUPAC name of 4,5-dithiophen-2-yl-1,3-dithiol-2-one (CID 15811354) is 4,5-dithiophen-2-yl-1,3-dithiol-2-one.
What is the SMILES notation for 4,5-dithiophen-2-yl-1,3-dithiol-2-one?
The canonical SMILES for 4,5-dithiophen-2-yl-1,3-dithiol-2-one is O=c1sc(-c2cccs2)c(-c2cccs2)s1.
What is the InChIKey of 4,5-dithiophen-2-yl-1,3-dithiol-2-one?
The InChIKey is BDBXVLAHAISXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6OS4/c12-11-15-9(7-3-1-5-13-7)10(16-11)8-4-2-6-14-8/h1-6H.
What are the key properties of 4,5-dithiophen-2-yl-1,3-dithiol-2-one?
4,5-dithiophen-2-yl-1,3-dithiol-2-one has a molecular weight of 282.44 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dithiophen-2-yl-1,3-dithiol-2-one is sourced from PubChem (CID 15811354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).