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

C5H8O2S2 — CID 141218175

IUPAC[4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol
SMILESOCC1=CSC(CO)S1
InChIInChI=1S/C5H8O2S2/c6-1-4-3-8-5(2-7)9-4/h3,5-7H,1-2H2
InChIKeyDYIOEMDDPQXZRH-UHFFFAOYSA-N
MW164.25 g/mol
LogP0.62
Rot. Bonds2

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

[4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol (PubChem CID 141218175) has the molecular formula C5H8O2S2 and a molecular weight of 164.25 g/mol. Its IUPAC name is [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol
PubChem CID141218175
Molecular FormulaC5H8O2S2
Molecular Weight164.25 g/mol
Exact Mass164.00
IUPAC Name[4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol
SMILESOCC1=CSC(CO)S1
InChIInChI=1S/C5H8O2S2/c6-1-4-3-8-5(2-7)9-4/h3,5-7H,1-2H2
InChIKeyDYIOEMDDPQXZRH-UHFFFAOYSA-N
XLogP0.62
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[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
(e)-2,2'-(Prop-1-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923931
(z)-2,2'-(Prop-1-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923932
2,2'-(Prop-2-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923933
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381
1-(1-Hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol
CID 19078198
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
Bis(1-hydroxyprop-2-enylsulfanyl)methanethione
CID 88672612
[2-(1,3-Dithiol-2-yl)-1,3-dithiol-4-yl]methanol
CID 89647414

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol (CID 141218175) is [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol is OCC1=CSC(CO)S1.
What is the InChIKey of [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol?
The InChIKey is DYIOEMDDPQXZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S2/c6-1-4-3-8-5(2-7)9-4/h3,5-7H,1-2H2.
What are the key properties of [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol?
[4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol has a molecular weight of 164.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-1,3-dithiol-2-yl]methanol is sourced from PubChem (CID 141218175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).