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

C10H12O4S4 — CID 11723783

IUPAC[2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESOCC1=C(CO)SC(=C2SC(CO)=C(CO)S2)S1
InChIInChI=1S/C10H12O4S4/c11-1-5-6(2-12)16-9(15-5)10-17-7(3-13)8(4-14)18-10/h11-14H,1-4H2
InChIKeyWSIUZKWXRLTWCB-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.47
Rot. Bonds4

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

[2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (PubChem CID 11723783) has the molecular formula C10H12O4S4 and a molecular weight of 324.47 g/mol. Its IUPAC name is [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
PubChem CID11723783
Molecular FormulaC10H12O4S4
Molecular Weight324.47 g/mol
Exact Mass323.96
IUPAC Name[2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
SMILESOCC1=C(CO)SC(=C2SC(CO)=C(CO)S2)S1
InChIInChI=1S/C10H12O4S4/c11-1-5-6(2-12)16-9(15-5)10-17-7(3-13)8(4-14)18-10/h11-14H,1-4H2
InChIKeyWSIUZKWXRLTWCB-UHFFFAOYSA-N
XLogP1.47
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-(1,3-Dithiol-2-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 86178574
[2-([1,3]Dithiolo[4,5-d][1,3]dithiol-5-ylidene)-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 58978777
[5-(Hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 141171965
[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
[2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-5-methyl-1,3-dithiol-4-yl]methanol
CID 15212274
[2-[2-[4,5-Bis(hydroxymethyl)-1,3-dithiol-2-ylidene]ethylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol
CID 100916069

Frequently Asked Questions

What is the IUPAC name of [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol (CID 11723783) is [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is OCC1=C(CO)SC(=C2SC(CO)=C(CO)S2)S1.
What is the InChIKey of [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
The InChIKey is WSIUZKWXRLTWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S4/c11-1-5-6(2-12)16-9(15-5)10-17-7(3-13)8(4-14)18-10/h11-14H,1-4H2.
What are the key properties of [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol?
[2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol has a molecular weight of 324.47 g/mol, XLogP of 1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4,5-bis(hydroxymethyl)-1,3-dithiol-2-ylidene]-5-(hydroxymethyl)-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 11723783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).