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

C11H16O2S4 — CID 141049606

IUPAC[2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol
SMILESOCC1=CSC(CCCC2SC=C(CO)S2)S1
InChIInChI=1S/C11H16O2S4/c12-4-8-6-14-10(16-8)2-1-3-11-15-7-9(5-13)17-11/h6-7,10-13H,1-5H2
InChIKeyKYGKSVWLPYIRGJ-UHFFFAOYSA-N
MW308.52 g/mol
LogP3.44
Rot. Bonds6

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

[2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol (PubChem CID 141049606) has the molecular formula C11H16O2S4 and a molecular weight of 308.52 g/mol. Its IUPAC name is [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol.

Molecular Properties

Compound Name[2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol
PubChem CID141049606
Molecular FormulaC11H16O2S4
Molecular Weight308.52 g/mol
Exact Mass308.00
IUPAC Name[2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol
SMILESOCC1=CSC(CCCC2SC=C(CO)S2)S1
InChIInChI=1S/C11H16O2S4/c12-4-8-6-14-10(16-8)2-1-3-11-15-7-9(5-13)17-11/h6-7,10-13H,1-5H2
InChIKeyKYGKSVWLPYIRGJ-UHFFFAOYSA-N
XLogP3.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.52
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(2-Hydroxyethylsulfanyl)butylsulfanyl]prop-2-en-1-ol
CID 21133536
{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
[(2E)-2-(4-ethyl-1,3-dithiolan-2-ylidene)-1,3-dithiol-4-yl]methanol
CID 134590229
[(2E)-2-[4-(hydroxymethyl)-1,3-dithiol-2-ylidene]-1,3-dithiolan-4-yl]methanol
CID 134590622
[2-[3-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanyl]propylsulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049373
[2-[2-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanyl]propan-2-ylsulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049375
[2-[4-[4-(Hydroxymethyl)-1,3-dithiol-2-yl]butyl]-1,3-dithiol-4-yl]methanol
CID 141049385
[2-[4-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanyl]butylsulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049386
[2-[[3-[[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methylsulfanyl]cyclohexyl]sulfanylmethyl]-1,3-dithiol-4-yl]methanol
CID 141049474

Frequently Asked Questions

What is the IUPAC name of [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol?
The IUPAC name of [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol (CID 141049606) is [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol.
What is the SMILES notation for [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol?
The canonical SMILES for [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol is OCC1=CSC(CCCC2SC=C(CO)S2)S1.
What is the InChIKey of [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol?
The InChIKey is KYGKSVWLPYIRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S4/c12-4-8-6-14-10(16-8)2-1-3-11-15-7-9(5-13)17-11/h6-7,10-13H,1-5H2.
What are the key properties of [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol?
[2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol has a molecular weight of 308.52 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[4-(hydroxymethyl)-1,3-dithiol-2-yl]propyl]-1,3-dithiol-4-yl]methanol is sourced from PubChem (CID 141049606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).