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

C11H14OS5 — CID 11416028

IUPAC2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESCC1=C(C)SC(=C2SC(C)=C(SCCO)S2)S1
InChIInChI=1S/C11H14OS5/c1-6-7(2)15-10(14-6)11-16-8(3)9(17-11)13-5-4-12/h12H,4-5H2,1-3H3
InChIKeyMIVJTHFKNOEVCB-UHFFFAOYSA-N
MW322.57 g/mol
LogP5.24
Rot. Bonds3

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

2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol (PubChem CID 11416028) has the molecular formula C11H14OS5 and a molecular weight of 322.57 g/mol. Its IUPAC name is 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol
PubChem CID11416028
Molecular FormulaC11H14OS5
Molecular Weight322.57 g/mol
Exact Mass321.96
IUPAC Name2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol
SMILESCC1=C(C)SC(=C2SC(C)=C(SCCO)S2)S1
InChIInChI=1S/C11H14OS5/c1-6-7(2)15-10(14-6)11-16-8(3)9(17-11)13-5-4-12/h12H,4-5H2,1-3H3
InChIKeyMIVJTHFKNOEVCB-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.57
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

[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-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 10883227
2-[[(2E)-2-[4-(2-hydroxyethylsulfanyl)-5-methyl-1,3-dithiol-2-ylidene]-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11315132
2-[[(2E)-5-methyl-2-(4-methyl-5-methylsulfanyl-1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11439651
[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol
CID 15212274
2-[[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 15365175
2-[[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-(2-hydroxyethylsulfanyl)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 15365183

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol (CID 11416028) is 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol is CC1=C(C)SC(=C2SC(C)=C(SCCO)S2)S1.
What is the InChIKey of 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol?
The InChIKey is MIVJTHFKNOEVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS5/c1-6-7(2)15-10(14-6)11-16-8(3)9(17-11)13-5-4-12/h12H,4-5H2,1-3H3.
What are the key properties of 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol?
2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol has a molecular weight of 322.57 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol is sourced from PubChem (CID 11416028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).