2-(2-sulfanylethylsulfonyl)ethanethiol

C4H10O2S3 — CID 2735522

IUPAC2-(2-sulfanylethylsulfonyl)ethanethiol
SMILESO=S(=O)(CCS)CCS
InChIInChI=1S/C4H10O2S3/c5-9(6,3-1-7)4-2-8/h7-8H,1-4H2
InChIKeyYWXCBLUCVBSYNJ-UHFFFAOYSA-N
MW186.32 g/mol
LogP0.26
Rot. Bonds4

About 2-(2-sulfanylethylsulfonyl)ethanethiol

2-(2-sulfanylethylsulfonyl)ethanethiol (PubChem CID 2735522) has the molecular formula C4H10O2S3 and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(2-sulfanylethylsulfonyl)ethanethiol.

Molecular Properties

Compound Name2-(2-sulfanylethylsulfonyl)ethanethiol
PubChem CID2735522
Molecular FormulaC4H10O2S3
Molecular Weight186.32 g/mol
Exact Mass185.98
IUPAC Name2-(2-sulfanylethylsulfonyl)ethanethiol
SMILESO=S(=O)(CCS)CCS
InChIInChI=1S/C4H10O2S3/c5-9(6,3-1-7)4-2-8/h7-8H,1-4H2
InChIKeyYWXCBLUCVBSYNJ-UHFFFAOYSA-N
XLogP0.26
TPSA34.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(2-sulfanylethylsulfonyl)ethanethiol 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 2-(2-sulfanylethylsulfonyl)ethanethiol?
The IUPAC name of 2-(2-sulfanylethylsulfonyl)ethanethiol (CID 2735522) is 2-(2-sulfanylethylsulfonyl)ethanethiol.
What is the SMILES notation for 2-(2-sulfanylethylsulfonyl)ethanethiol?
The canonical SMILES for 2-(2-sulfanylethylsulfonyl)ethanethiol is O=S(=O)(CCS)CCS.
What is the InChIKey of 2-(2-sulfanylethylsulfonyl)ethanethiol?
The InChIKey is YWXCBLUCVBSYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S3/c5-9(6,3-1-7)4-2-8/h7-8H,1-4H2.
What are the key properties of 2-(2-sulfanylethylsulfonyl)ethanethiol?
2-(2-sulfanylethylsulfonyl)ethanethiol has a molecular weight of 186.32 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-sulfanylethylsulfonyl)ethanethiol is sourced from PubChem (CID 2735522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).