2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol

C10H12O2S6 — CID 11728012

IUPAC2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESOCCSC1=C(SCCO)SC(=C2SC=CS2)S1
InChIInChI=1S/C10H12O2S6/c11-1-3-13-8-9(14-4-2-12)18-10(17-8)7-15-5-6-16-7/h5-6,11-12H,1-4H2
InChIKeyRDZRJYMOWWUWFM-UHFFFAOYSA-N
MW356.61 g/mol
LogP4.12
Rot. Bonds6

About 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol

2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol (PubChem CID 11728012) has the molecular formula C10H12O2S6 and a molecular weight of 356.61 g/mol. Its IUPAC name is 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
PubChem CID11728012
Molecular FormulaC10H12O2S6
Molecular Weight356.61 g/mol
Exact Mass355.92
IUPAC Name2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESOCCSC1=C(SCCO)SC(=C2SC=CS2)S1
InChIInChI=1S/C10H12O2S6/c11-1-3-13-8-9(14-4-2-12)18-10(17-8)7-15-5-6-16-7/h5-6,11-12H,1-4H2
InChIKeyRDZRJYMOWWUWFM-UHFFFAOYSA-N
XLogP4.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol with MolForge

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Related Compounds

2-[[2-[4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 5136326
2-[[2-[4,5-Bis(2-hydroxyethylsulfanyl)-1,3-dithiol-2-yl]-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 123608552
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-[[2-(1,3-Dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11778439

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol (CID 11728012) is 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol is OCCSC1=C(SCCO)SC(=C2SC=CS2)S1.
What is the InChIKey of 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol?
The InChIKey is RDZRJYMOWWUWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S6/c11-1-3-13-8-9(14-4-2-12)18-10(17-8)7-15-5-6-16-7/h5-6,11-12H,1-4H2.
What are the key properties of 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol?
2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol has a molecular weight of 356.61 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol is sourced from PubChem (CID 11728012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).