[4-(hydroxymethyl)dithiolan-4-yl]methanol

C5H10O2S2 — CID 14277

IUPAC[4-(hydroxymethyl)dithiolan-4-yl]methanol
SMILESOCC1(CO)CSSC1
InChIInChI=1S/C5H10O2S2/c6-1-5(2-7)3-8-9-4-5/h6-7H,1-4H2
InChIKeyGEHRODWKNCVVJO-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.35
Rot. Bonds2

About [4-(hydroxymethyl)dithiolan-4-yl]methanol

[4-(hydroxymethyl)dithiolan-4-yl]methanol (PubChem CID 14277) has the molecular formula C5H10O2S2 and a molecular weight of 166.27 g/mol. Its IUPAC name is [4-(hydroxymethyl)dithiolan-4-yl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)dithiolan-4-yl]methanol
PubChem CID14277
Molecular FormulaC5H10O2S2
Molecular Weight166.27 g/mol
Exact Mass166.01
IUPAC Name[4-(hydroxymethyl)dithiolan-4-yl]methanol
SMILESOCC1(CO)CSSC1
InChIInChI=1S/C5H10O2S2/c6-1-5(2-7)3-8-9-4-5/h6-7H,1-4H2
InChIKeyGEHRODWKNCVVJO-UHFFFAOYSA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze [4-(hydroxymethyl)dithiolan-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)dithiolan-4-yl]methanol?
The IUPAC name of [4-(hydroxymethyl)dithiolan-4-yl]methanol (CID 14277) is [4-(hydroxymethyl)dithiolan-4-yl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)dithiolan-4-yl]methanol?
The canonical SMILES for [4-(hydroxymethyl)dithiolan-4-yl]methanol is OCC1(CO)CSSC1.
What is the InChIKey of [4-(hydroxymethyl)dithiolan-4-yl]methanol?
The InChIKey is GEHRODWKNCVVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S2/c6-1-5(2-7)3-8-9-4-5/h6-7H,1-4H2.
What are the key properties of [4-(hydroxymethyl)dithiolan-4-yl]methanol?
[4-(hydroxymethyl)dithiolan-4-yl]methanol has a molecular weight of 166.27 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)dithiolan-4-yl]methanol is sourced from PubChem (CID 14277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).