1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol

C4H6N2OS2 — CID 67861199

IUPAC1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol
SMILESCC(O)Sc1nncs1
InChIInChI=1S/C4H6N2OS2/c1-3(7)9-4-6-5-2-8-4/h2-3,7H,1H3
InChIKeyXCQHPOSSXPFHSJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP0.97
Rot. Bonds2

About 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol

1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol (PubChem CID 67861199) has the molecular formula C4H6N2OS2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol
PubChem CID67861199
Molecular FormulaC4H6N2OS2
Molecular Weight162.24 g/mol
Exact Mass161.99
IUPAC Name1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol
SMILESCC(O)Sc1nncs1
InChIInChI=1S/C4H6N2OS2/c1-3(7)9-4-6-5-2-8-4/h2-3,7H,1H3
InChIKeyXCQHPOSSXPFHSJ-UHFFFAOYSA-N
XLogP0.97
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol?
The IUPAC name of 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol (CID 67861199) is 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol is CC(O)Sc1nncs1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol?
The InChIKey is XCQHPOSSXPFHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS2/c1-3(7)9-4-6-5-2-8-4/h2-3,7H,1H3.
What are the key properties of 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol?
1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol has a molecular weight of 162.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-ylsulfanyl)ethanol is sourced from PubChem (CID 67861199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).