2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol

C8H6N2OS2 — CID 65274597

IUPAC2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol
SMILESOc1ccccc1Sc1ncns1
InChIInChI=1S/C8H6N2OS2/c11-6-3-1-2-4-7(6)12-8-9-5-10-13-8/h1-5,11H
InChIKeyKVUFKBFYRFHDFT-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.39
Rot. Bonds2

About 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol

2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol (PubChem CID 65274597) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol.

Molecular Properties

Compound Name2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol
PubChem CID65274597
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol
SMILESOc1ccccc1Sc1ncns1
InChIInChI=1S/C8H6N2OS2/c11-6-3-1-2-4-7(6)12-8-9-5-10-13-8/h1-5,11H
InChIKeyKVUFKBFYRFHDFT-UHFFFAOYSA-N
XLogP2.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol?
The IUPAC name of 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol (CID 65274597) is 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol.
What is the SMILES notation for 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol?
The canonical SMILES for 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol is Oc1ccccc1Sc1ncns1.
What is the InChIKey of 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol?
The InChIKey is KVUFKBFYRFHDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS2/c11-6-3-1-2-4-7(6)12-8-9-5-10-13-8/h1-5,11H.
What are the key properties of 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol?
2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol has a molecular weight of 210.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-thiadiazol-5-ylsulfanyl)phenol is sourced from PubChem (CID 65274597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).