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

C10H12OS4 — CID 15212274

IUPAC[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol
SMILESCC1=C(C)SC(=C2SC(C)=C(CO)S2)S1
InChIInChI=1S/C10H12OS4/c1-5-6(2)13-9(12-5)10-14-7(3)8(4-11)15-10/h11H,4H2,1-3H3
InChIKeyPWNJFAAHIHFIQW-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.55
Rot. Bonds1

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

[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol (PubChem CID 15212274) has the molecular formula C10H12OS4 and a molecular weight of 276.47 g/mol. Its IUPAC name is [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol
PubChem CID15212274
Molecular FormulaC10H12OS4
Molecular Weight276.47 g/mol
Exact Mass275.98
IUPAC Name[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol
SMILESCC1=C(C)SC(=C2SC(C)=C(CO)S2)S1
InChIInChI=1S/C10H12OS4/c1-5-6(2)13-9(12-5)10-14-7(3)8(4-11)15-10/h11H,4H2,1-3H3
InChIKeyPWNJFAAHIHFIQW-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 15307654
[5-(Hydroxymethyl)-2-methylsulfanyl-1,3-dithiol-4-yl]methanol
CID 10013363
2-[[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11416028
2-[[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 15365175

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol (CID 15212274) is [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol is CC1=C(C)SC(=C2SC(C)=C(CO)S2)S1.
What is the InChIKey of [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol?
The InChIKey is PWNJFAAHIHFIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS4/c1-5-6(2)13-9(12-5)10-14-7(3)8(4-11)15-10/h11H,4H2,1-3H3.
What are the key properties of [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol?
[2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol has a molecular weight of 276.47 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 15212274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).