[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol

C10H10O2S6 — CID 11473711

IUPAC[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESOCC1=C(CO)SC(=C2SC3=C(SCCS3)S2)S1
InChIInChI=1S/C10H10O2S6/c11-3-5-6(4-12)16-9(15-5)10-17-7-8(18-10)14-2-1-13-7/h11-12H,1-4H2
InChIKeyKSGFCTZEBGDLGF-UHFFFAOYSA-N
MW354.59 g/mol
LogP3.88
Rot. Bonds2

About [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol

[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (PubChem CID 11473711) has the molecular formula C10H10O2S6 and a molecular weight of 354.59 g/mol. Its IUPAC name is [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
PubChem CID11473711
Molecular FormulaC10H10O2S6
Molecular Weight354.59 g/mol
Exact Mass353.90
IUPAC Name[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESOCC1=C(CO)SC(=C2SC3=C(SCCS3)S2)S1
InChIInChI=1S/C10H10O2S6/c11-3-5-6(4-12)16-9(15-5)10-17-7-8(18-10)14-2-1-13-7/h11-12H,1-4H2
InChIKeyKSGFCTZEBGDLGF-UHFFFAOYSA-N
XLogP3.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol with MolForge

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Related Compounds

[2-[4,5-Bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 11723783
[2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]methanol
CID 10860335
[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 15307654
[2-(1,3-Dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 86178574
[2-([1,3]Dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 58978780

Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (CID 11473711) is [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is OCC1=C(CO)SC(=C2SC3=C(SCCS3)S2)S1.
What is the InChIKey of [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The InChIKey is KSGFCTZEBGDLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S6/c11-3-5-6(4-12)16-9(15-5)10-17-7-8(18-10)14-2-1-13-7/h11-12H,1-4H2.
What are the key properties of [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol has a molecular weight of 354.59 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 11473711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).