2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol

C5H8N2OS2 — CID 130815387

IUPAC2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol
SMILESOCCSCc1cnsn1
InChIInChI=1S/C5H8N2OS2/c8-1-2-9-4-5-3-6-10-7-5/h3,8H,1-2,4H2
InChIKeyBCOSPLYSDCDWQF-UHFFFAOYSA-N
MW176.27 g/mol
LogP0.76
Rot. Bonds4

About 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol

2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol (PubChem CID 130815387) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol
PubChem CID130815387
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol
SMILESOCCSCc1cnsn1
InChIInChI=1S/C5H8N2OS2/c8-1-2-9-4-5-3-6-10-7-5/h3,8H,1-2,4H2
InChIKeyBCOSPLYSDCDWQF-UHFFFAOYSA-N
XLogP0.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol 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-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol?
The IUPAC name of 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol (CID 130815387) is 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol.
What is the SMILES notation for 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol?
The canonical SMILES for 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol is OCCSCc1cnsn1.
What is the InChIKey of 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol?
The InChIKey is BCOSPLYSDCDWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c8-1-2-9-4-5-3-6-10-7-5/h3,8H,1-2,4H2.
What are the key properties of 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol?
2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol has a molecular weight of 176.27 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,5-thiadiazol-3-ylmethylsulfanyl)ethanol is sourced from PubChem (CID 130815387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).