3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol

C6H10N2OS2 — CID 66136093

IUPAC3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol
SMILESCC(CCO)Sc1ncns1
InChIInChI=1S/C6H10N2OS2/c1-5(2-3-9)10-6-7-4-8-11-6/h4-5,9H,2-3H2,1H3
InChIKeyPHLBRCOKWLOBHV-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.40
Rot. Bonds4

About 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol

3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol (PubChem CID 66136093) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol
PubChem CID66136093
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol
SMILESCC(CCO)Sc1ncns1
InChIInChI=1S/C6H10N2OS2/c1-5(2-3-9)10-6-7-4-8-11-6/h4-5,9H,2-3H2,1H3
InChIKeyPHLBRCOKWLOBHV-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol?
The IUPAC name of 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol (CID 66136093) is 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol?
The canonical SMILES for 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol is CC(CCO)Sc1ncns1.
What is the InChIKey of 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol?
The InChIKey is PHLBRCOKWLOBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-5(2-3-9)10-6-7-4-8-11-6/h4-5,9H,2-3H2,1H3.
What are the key properties of 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol?
3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-thiadiazol-5-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 66136093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).