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

C9H8OS6 — CID 10860335

IUPAC[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]methanol
SMILESOCC1=CSC(=C2SC3=C(SCCS3)S2)S1
InChIInChI=1S/C9H8OS6/c10-3-5-4-13-8(14-5)9-15-6-7(16-9)12-2-1-11-6/h4,10H,1-3H2
InChIKeyLHFYPTWJYYBNIZ-UHFFFAOYSA-N
MW324.56 g/mol
LogP4.51
Rot. Bonds1

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

[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]methanol (PubChem CID 10860335) has the molecular formula C9H8OS6 and a molecular weight of 324.56 g/mol. Its IUPAC name is [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-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)-1,3-dithiol-4-yl]methanol
PubChem CID10860335
Molecular FormulaC9H8OS6
Molecular Weight324.56 g/mol
Exact Mass323.89
IUPAC Name[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]methanol
SMILESOCC1=CSC(=C2SC3=C(SCCS3)S2)S1
InChIInChI=1S/C9H8OS6/c10-3-5-4-13-8(14-5)9-15-6-7(16-9)12-2-1-11-6/h4,10H,1-3H2
InChIKeyLHFYPTWJYYBNIZ-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2,2'-Bi(1,3-dithiolylidene)]-4,4'-diyldimethanol
CID 11086659
{2-[4,5-Bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl}methanol
CID 71353975
{2-[4-(Hydroxymethyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl}methanol
CID 53947824
[2-([1,3]Dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 58978780
[2-(1,3-Dithiol-2-yl)-1,3-dithiol-4-yl]methanol
CID 89647414
[(2E)-2-(4-ethyl-1,3-dithiolan-2-ylidene)-1,3-dithiol-4-yl]methanol
CID 134590229
[2-[2-[4-(Hydroxymethyl)-1,3-dithiol-2-yl]ethyl]-1,3-dithiol-4-yl]methanol
CID 141049479
[2-[2-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanyl]ethylsulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049600
[2-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanylmethylsulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049643
[2-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methyl]-1,3-dithiol-4-yl]methanol
CID 141049648
[(2Z)-2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol
CID 11021778
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

Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-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)-1,3-dithiol-4-yl]methanol (CID 10860335) is [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-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)-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)-1,3-dithiol-4-yl]methanol is OCC1=CSC(=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)-1,3-dithiol-4-yl]methanol?
The InChIKey is LHFYPTWJYYBNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8OS6/c10-3-5-4-13-8(14-5)9-15-6-7(16-9)12-2-1-11-6/h4,10H,1-3H2.
What are the key properties of [2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]methanol?
[2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]methanol has a molecular weight of 324.56 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 7 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)-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 10860335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).