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

C5H8N2OS2 — CID 65273381

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
SMILESCc1nsc(SCCO)n1
InChIInChI=1S/C5H8N2OS2/c1-4-6-5(10-7-4)9-3-2-8/h8H,2-3H2,1H3
InChIKeyVZTYIQYWMNCUEG-UHFFFAOYSA-N
MW176.27 g/mol
LogP0.93
Rot. Bonds3

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol (PubChem CID 65273381) has the molecular formula C5H8N2OS2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
PubChem CID65273381
Molecular FormulaC5H8N2OS2
Molecular Weight176.27 g/mol
Exact Mass176.01
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol
SMILESCc1nsc(SCCO)n1
InChIInChI=1S/C5H8N2OS2/c1-4-6-5(10-7-4)9-3-2-8/h8H,2-3H2,1H3
InChIKeyVZTYIQYWMNCUEG-UHFFFAOYSA-N
XLogP0.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol (CID 65273381) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol is Cc1nsc(SCCO)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
The InChIKey is VZTYIQYWMNCUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS2/c1-4-6-5(10-7-4)9-3-2-8/h8H,2-3H2,1H3.
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol has a molecular weight of 176.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanol is sourced from PubChem (CID 65273381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).