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

C5H10O2S2 — CID 22237263

IUPAC[2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol
SMILESOCC1CSC(CO)S1
InChIInChI=1S/C5H10O2S2/c6-1-4-3-8-5(2-7)9-4/h4-7H,1-3H2
InChIKeyAYPNVUSGRVJCOO-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.15
Rot. Bonds2

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

[2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol (PubChem CID 22237263) has the molecular formula C5H10O2S2 and a molecular weight of 166.27 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol
PubChem CID22237263
Molecular FormulaC5H10O2S2
Molecular Weight166.27 g/mol
Exact Mass166.01
IUPAC Name[2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol
SMILESOCC1CSC(CO)S1
InChIInChI=1S/C5H10O2S2/c6-1-4-3-8-5(2-7)9-4/h4-7H,1-3H2
InChIKeyAYPNVUSGRVJCOO-UHFFFAOYSA-N
XLogP0.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-((2-Hydroxyethyl)sulfanyl)propan-1-ol
CID 220278
(2,2-Dimethyl-1,3-dithiolan-4-yl)methanol
CID 21893
3,3'-Thiodipropan-1-ol
CID 66358
1,3-Dithiolane-4-methanol
CID 22147
1,3-Dithiolan-2-ylmethanol
CID 303692
(2-Methyl-1,3-dithiolan-4-yl)methanol
CID 474292
(2R)-2-(1,3-dithiolan-2-yl)propan-1-ol
CID 134929891
(2-Butyl-1,3-dithiolan-4-yl)methanol
CID 12792468
4-Hydroxy-3-mercaptotetra-hydrothiophene
CID 12895930
Thiolan-2-ol
CID 13451042
(1R)-1-(1,3-dithiolan-2-yl)ethanol
CID 14290513
(2R)-1-(1,3-dithiolan-2-yl)propan-2-ol
CID 14290516

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol (CID 22237263) is [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol is OCC1CSC(CO)S1.
What is the InChIKey of [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol?
The InChIKey is AYPNVUSGRVJCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S2/c6-1-4-3-8-5(2-7)9-4/h4-7H,1-3H2.
What are the key properties of [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol?
[2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol has a molecular weight of 166.27 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1,3-dithiolan-4-yl]methanol is sourced from PubChem (CID 22237263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).