2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol

C6H10N2OS2 — CID 65274077

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
SMILESCCc1nsc(SCCO)n1
InChIInChI=1S/C6H10N2OS2/c1-2-5-7-6(11-8-5)10-4-3-9/h9H,2-4H2,1H3
InChIKeyPXCWUXFOUDGNAG-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.18
Rot. Bonds4

About 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol (PubChem CID 65274077) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
PubChem CID65274077
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
SMILESCCc1nsc(SCCO)n1
InChIInChI=1S/C6H10N2OS2/c1-2-5-7-6(11-8-5)10-4-3-9/h9H,2-4H2,1H3
InChIKeyPXCWUXFOUDGNAG-UHFFFAOYSA-N
XLogP1.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol (CID 65274077) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol is CCc1nsc(SCCO)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The InChIKey is PXCWUXFOUDGNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-2-5-7-6(11-8-5)10-4-3-9/h9H,2-4H2,1H3.
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol has a molecular weight of 190.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol is sourced from PubChem (CID 65274077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).