2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol

C8H8OS5 — CID 11778439

IUPAC2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESOCCSC1=CSC(=C2SC=CS2)S1
InChIInChI=1S/C8H8OS5/c9-1-2-10-6-5-13-8(14-6)7-11-3-4-12-7/h3-5,9H,1-2H2
InChIKeyGIJLBWBUCLFFIX-UHFFFAOYSA-N
MW280.49 g/mol
LogP4.07
Rot. Bonds3

About 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol

2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol (PubChem CID 11778439) has the molecular formula C8H8OS5 and a molecular weight of 280.49 g/mol. Its IUPAC name is 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
PubChem CID11778439
Molecular FormulaC8H8OS5
Molecular Weight280.49 g/mol
Exact Mass279.92
IUPAC Name2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESOCCSC1=CSC(=C2SC=CS2)S1
InChIInChI=1S/C8H8OS5/c9-1-2-10-6-5-13-8(14-6)7-11-3-4-12-7/h3-5,9H,1-2H2
InChIKeyGIJLBWBUCLFFIX-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dithiol-2-ylmethanol
CID 141274373
2-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 10883227
2-[[2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11036059
2-[[(2E)-5-methyl-2-(4-methyl-5-methylsulfanyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11439651
2-[[2-(1,3-Dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11728012

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol (CID 11778439) is 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol is OCCSC1=CSC(=C2SC=CS2)S1.
What is the InChIKey of 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The InChIKey is GIJLBWBUCLFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS5/c9-1-2-10-6-5-13-8(14-6)7-11-3-4-12-7/h3-5,9H,1-2H2.
What are the key properties of 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol?
2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol has a molecular weight of 280.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol is sourced from PubChem (CID 11778439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).