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

C7H6OS4 — CID 10900582

IUPAC[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol
SMILESOCC1=CSC(=C2SC=CS2)S1
InChIInChI=1S/C7H6OS4/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-2,4,8H,3H2
InChIKeyVYGCDOZSXPBPLM-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.38
Rot. Bonds1

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

[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol (PubChem CID 10900582) has the molecular formula C7H6OS4 and a molecular weight of 234.39 g/mol. Its IUPAC name is [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol
PubChem CID10900582
Molecular FormulaC7H6OS4
Molecular Weight234.39 g/mol
Exact Mass233.93
IUPAC Name[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol
SMILESOCC1=CSC(=C2SC=CS2)S1
InChIInChI=1S/C7H6OS4/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-2,4,8H,3H2
InChIKeyVYGCDOZSXPBPLM-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-Dithiol-2-yl)-1,3-dithiol-4-yl]methanol
CID 89647414
1,3-Dithiol-4-ylmethanol
CID 141027784
[(2Z)-2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]methanol
CID 11021778
4-(Hydroxymethyl)-1,3-dithiole-2-thione
CID 15739925
5-(Hydroxymethyl)-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione
CID 102119439

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol (CID 10900582) is [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol is OCC1=CSC(=C2SC=CS2)S1.
What is the InChIKey of [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol?
The InChIKey is VYGCDOZSXPBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6OS4/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-2,4,8H,3H2.
What are the key properties of [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol?
[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol has a molecular weight of 234.39 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 10900582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).