1,3-dithiol-4-ylmethanol

C4H6OS2 — CID 141027784

IUPAC1,3-dithiol-4-ylmethanol
SMILESOCC1=CSCS1
InChIInChI=1S/C4H6OS2/c5-1-4-2-6-3-7-4/h2,5H,1,3H2
InChIKeyCNBBGAJZQGASDA-UHFFFAOYSA-N
MW134.22 g/mol
LogP1.26
Rot. Bonds1

About 1,3-dithiol-4-ylmethanol

1,3-dithiol-4-ylmethanol (PubChem CID 141027784) has the molecular formula C4H6OS2 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,3-dithiol-4-ylmethanol.

Molecular Properties

Compound Name1,3-dithiol-4-ylmethanol
PubChem CID141027784
Molecular FormulaC4H6OS2
Molecular Weight134.22 g/mol
Exact Mass133.99
IUPAC Name1,3-dithiol-4-ylmethanol
SMILESOCC1=CSCS1
InChIInChI=1S/C4H6OS2/c5-1-4-2-6-3-7-4/h2,5H,1,3H2
InChIKeyCNBBGAJZQGASDA-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dithiole-4-methanol, 2-(1,3-dithiol-2-ylidene)-
CID 10900582
[2,2'-Bi(1,3-dithiolylidene)]-4,4'-diyldimethanol
CID 11086659
(5,6-Dihydro-1,4-dithiin-2-yl)methanol
CID 10725505
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
InChI=1/C7H14OS2/c1-3-9-7(5-6-8)10-4-2/h5,8H,3-4,6H2,1-2H
CID 21581185
{2-[4,5-Bis(methylsulfanyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl}methanol
CID 71353975
{2-[4-(Hydroxymethyl)-2H-1,3-dithiol-2-ylidene]-2H-1,3-dithiol-4-yl}methanol
CID 53947824
1-Hydroxyprop-2-enylsulfanylmethanedithioic acid
CID 88672613
[2-(1,3-Dithiol-2-yl)-1,3-dithiol-4-yl]methanol
CID 89647414
(2-Methyl-1,3-dithiol-4-yl)methanol
CID 141027770
[2-(Sulfanylmethyl)-1,3-dithiol-4-yl]methanol
CID 141049527
[4-(Hydroxymethyl)-1,3-dithiol-2-yl]methanol
CID 141218175

Frequently Asked Questions

What is the IUPAC name of 1,3-dithiol-4-ylmethanol?
The IUPAC name of 1,3-dithiol-4-ylmethanol (CID 141027784) is 1,3-dithiol-4-ylmethanol.
What is the SMILES notation for 1,3-dithiol-4-ylmethanol?
The canonical SMILES for 1,3-dithiol-4-ylmethanol is OCC1=CSCS1.
What is the InChIKey of 1,3-dithiol-4-ylmethanol?
The InChIKey is CNBBGAJZQGASDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS2/c5-1-4-2-6-3-7-4/h2,5H,1,3H2.
What are the key properties of 1,3-dithiol-4-ylmethanol?
1,3-dithiol-4-ylmethanol has a molecular weight of 134.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiol-4-ylmethanol is sourced from PubChem (CID 141027784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).