[2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol

C8H8O2S4 — CID 86178574

IUPAC[2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESOCC1=C(CO)SC(=C2SC=CS2)S1
InChIInChI=1S/C8H8O2S4/c9-3-5-6(4-10)14-8(13-5)7-11-1-2-12-7/h1-2,9-10H,3-4H2
InChIKeySGDMOOVJGZBOLO-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.74
Rot. Bonds2

About [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol

[2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (PubChem CID 86178574) has the molecular formula C8H8O2S4 and a molecular weight of 264.42 g/mol. Its IUPAC name is [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
PubChem CID86178574
Molecular FormulaC8H8O2S4
Molecular Weight264.42 g/mol
Exact Mass263.94
IUPAC Name[2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESOCC1=C(CO)SC(=C2SC=CS2)S1
InChIInChI=1S/C8H8O2S4/c9-3-5-6(4-10)14-8(13-5)7-11-1-2-12-7/h1-2,9-10H,3-4H2
InChIKeySGDMOOVJGZBOLO-UHFFFAOYSA-N
XLogP2.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
[2,2'-Bi(1,3-dithiolylidene)]-4,4'-diyldimethanol
CID 11086659
[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 15307654
{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-(6,7-dihydro-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 57544272
[2-([1,3]Dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 58978777
[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
[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

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (CID 86178574) is [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is OCC1=C(CO)SC(=C2SC=CS2)S1.
What is the InChIKey of [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The InChIKey is SGDMOOVJGZBOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S4/c9-3-5-6(4-10)14-8(13-5)7-11-1-2-12-7/h1-2,9-10H,3-4H2.
What are the key properties of [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
[2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol has a molecular weight of 264.42 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 86178574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).