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

C10H12O2S6 — CID 15307654

IUPAC[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESCSC1=C(SC)SC(=C2SC(CO)=C(CO)S2)S1
InChIInChI=1S/C10H12O2S6/c1-13-7-8(14-2)18-10(17-7)9-15-5(3-11)6(4-12)16-9/h11-12H,3-4H2,1-2H3
InChIKeyXVKJOARFGSIDAG-UHFFFAOYSA-N
MW356.61 g/mol
LogP4.12
Rot. Bonds4

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

[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (PubChem CID 15307654) has the molecular formula C10H12O2S6 and a molecular weight of 356.61 g/mol. Its IUPAC name is [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
PubChem CID15307654
Molecular FormulaC10H12O2S6
Molecular Weight356.61 g/mol
Exact Mass355.92
IUPAC Name[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESCSC1=C(SC)SC(=C2SC(CO)=C(CO)S2)S1
InChIInChI=1S/C10H12O2S6/c1-13-7-8(14-2)18-10(17-7)9-15-5(3-11)6(4-12)16-9/h11-12H,3-4H2,1-2H3
InChIKeyXVKJOARFGSIDAG-UHFFFAOYSA-N
XLogP4.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4,5-Bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 11723783
[5-(Hydroxymethyl)-2-iodo-2-methylsulfanyl-1,3-dithiol-4-yl]methanol
CID 15641499
[2-(1,3-Dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 86178574
[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-(2-Ethyl-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 89215920
[5-(Hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 141171965
[2-([1,3]Dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol;ethene
CID 161471990
[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-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 11473711

Frequently Asked Questions

What is the IUPAC name of [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (CID 15307654) is [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is CSC1=C(SC)SC(=C2SC(CO)=C(CO)S2)S1.
What is the InChIKey of [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The InChIKey is XVKJOARFGSIDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S6/c1-13-7-8(14-2)18-10(17-7)9-15-5(3-11)6(4-12)16-9/h11-12H,3-4H2,1-2H3.
What are the key properties of [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol has a molecular weight of 356.61 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 15307654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).